7-(2-ethyl-4-methoxy-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole

Systemtic Name: 7-(2-ethyl-4-methoxy-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole Openeye Name: 7-(2-ethyl-4-methoxy-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole CAS Name: 7-(2-ethyl-4-methoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole IUPAC Name: 7-(2-ethyl-4-methoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole Traditional Name: 7-(2-ethyl-4-methoxy-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:

CCC1=C(C=CC(=C1)OC)C2=C3C(=CC=C2)CC4N3CCNCC4

Isomeric SMILES

CCC1=C(C=CC(=C1)OC)C2=C3C(=CC=C2)CC4N3CCNCC4

InChI

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