H7Q
Summary
| Name: | 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine |
| Formula: | C27 H33 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 431.57 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H33N3O2/c28-26-27(10-3-4-11-27)22-14-24(32-18-19-8-9-19)25(15-23(22)29-26)31-13-5-12-30-16-20-6-1-2-7-21(20)17-30/h1-2,6-7,14-15,19H,3-5,8-13,16-18H2,(H2,28,29) |
| InChIKey | InChI | 1.03 | BHUFHRHQTFNIPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC5CC5)cc2C16CCCC6 |
| SMILES | CACTVS | 3.385 | NC1=Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC5CC5)cc2C16CCCC6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CN(C2)CCCOc3cc4c(cc3OCC5CC5)C6(CCCC6)C(=N4)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CN(C2)CCCOc3cc4c(cc3OCC5CC5)C6(CCCC6)C(=N4)N |
