JCH
Summary
Name: | 3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine |
Formula: | C19 H18 N4 O |
Formal charge: | 0 |
Formula weight: | 318.372 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H18N4O/c1-24-16-6-2-13(3-7-16)12-23-9-8-14-4-5-15(10-18(14)23)17-11-19(20)22-21-17/h2-11H,12H2,1H3,(H3,20,21,22) |
InChIKey | InChI | 1.03 | OQIZQMWQHPDPIM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cn2ccc3ccc(cc23)c4cc(N)[nH]n4)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(Cn2ccc3ccc(cc23)c4cc(N)[nH]n4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N |