3-(4-azanylbutyl)-2-(3,4-dimethoxyphenyl)-1H-indole-5-carbonitrile

Systemtic Name: 3-(4-azanylbutyl)-2-(3,4-dimethoxyphenyl)-1H-indole-5-carbonitrile Openeye Name: 3-(4-aminobutyl)-2-(3,4-dimethoxyphenyl)-1H-indole-5-carbonitrile CAS Name: 3-(4-aminobutyl)-2-(3,4-dimethoxyphenyl)-1H-indole-5-carbonitrile IUPAC Name: 3-(4-aminobutyl)-2-(3,4-dimethoxyphenyl)-1H-indole-5-carbonitrile Traditional Name: 3-(4-aminobutyl)-2-(3,4-dimethoxyphenyl)-1H-indole-5-carbonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C#N)CCCCN)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C#N)CCCCN)OC

InChI

InChI=1S/C21H23N3O2/c1-25-19-9-7-15(12-20(19)26-2)21-16(5-3-4-10-22)17-11-14(13-23)6-8-18(17)24-21/h6-9,11-12,24H,3-5,10,22H2,1-2H3