9-(4-ethoxy-2-methyl-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole

Systemtic Name: 9-(4-ethoxy-2-methyl-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole Openeye Name: 9-(4-ethoxy-2-methyl-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole CAS Name: 9-(4-ethoxy-2-methylphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole IUPAC Name: 9-(4-ethoxy-2-methylphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole Traditional Name: 9-(4-ethoxy-2-methyl-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepin[1,7-a]indole Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=CC3=C(C=C2)N4CCNCCC4C3)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=CC3=C(C=C2)N4CCNCCC4C3)C

InChI

InChI=1S/C21H26N2O/c1-3-24-19-5-6-20(15(2)12-19)16-4-7-21-17(13-16)14-18-8-9-22-10-11-23(18)21/h4-7,12-13,18,22H,3,8-11,14H2,1-2H3