7,8-dimethoxy-5-phenoxy-3-(3-phenoxypropyl)-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 7,8-dimethoxy-5-phenoxy-3-(3-phenoxypropyl)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 7,8-dimethoxy-5-phenoxy-3-(3-phenoxypropyl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 7,8-dimethoxy-5-phenoxy-3-(3-phenoxypropyl)-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 7,8-dimethoxy-5-phenoxy-3-(3-phenoxypropyl)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 7,8-dimethoxy-5-phenoxy-3-(3-phenoxypropyl)-1,2,4,5-tetrahydro-3-benzazepine Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(CN(CCC2=C1)CCCOC3=CC=CC=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(CN(CCC2=C1)CCCOC3=CC=CC=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C27H31NO4/c1-29-25-18-21-14-16-28(15-9-17-31-22-10-5-3-6-11-22)20-27(24(21)19-26(25)30-2)32-23-12-7-4-8-13-23/h3-8,10-13,18-19,27H,9,14-17,20H2,1-2H3