I0J
Summary
| Name: | 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one |
| Formula: | C24 H29 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 391.506 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H29N3O2/c25-24-26-22-16-19(11-6-2-5-10-18-8-3-1-4-9-18)13-14-21(22)23(28)27(24)17-20-12-7-15-29-20/h1,3-4,8-9,13-14,16,20H,2,5-7,10-12,15,17H2,(H2,25,26)/t20-/m1/s1 |
| InChIKey | InChI | 1.06 | RDQORSXQWHKSAX-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2cc(CCCCCc3ccccc3)ccc2C(=O)N1C[C@H]4CCCO4 |
| SMILES | CACTVS | 3.385 | NC1=Nc2cc(CCCCCc3ccccc3)ccc2C(=O)N1C[CH]4CCCO4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCCCc2ccc3c(c2)N=C(N(C3=O)C[C@H]4CCCO4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCCCc2ccc3c(c2)N=C(N(C3=O)CC4CCCO4)N |
