7-methoxy-N-(3-methylphenyl)-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide

Systemtic Name: 7-methoxy-N-(3-methylphenyl)-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide Openeye Name: 7-methoxy-N-(m-tolyl)-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide CAS Name: 7-methoxy-N-(3-methylphenyl)-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide IUPAC Name: 7-methoxy-N-(3-methylphenyl)-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide Traditional Name: 7-methoxy-N-(m-tolyl)-3,4,5,10-tetrahydro-1H-azepin[3,4-b]indole-2-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCC3=C(C2)NC4=C3C=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCC3=C(C2)NC4=C3C=C(C=C4)OC

InChI

InChI=1S/C21H23N3O2/c1-14-5-3-6-15(11-14)22-21(25)24-10-4-7-17-18-12-16(26-2)8-9-19(18)23-20(17)13-24/h3,5-6,8-9,11-12,23H,4,7,10,13H2,1-2H3,(H,22,25)