8-methoxy-4-(4-methoxyphenyl)-5-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-3,4-dihydro-2H-1,5-benzoxazepine

Systemtic Name: 8-methoxy-4-(4-methoxyphenyl)-5-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-3,4-dihydro-2H-1,5-benzoxazepine Openeye Name: 5-(3-isobutoxy-2-pyrrolidin-1-yl-propyl)-8-methoxy-4-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzoxazepine CAS Name: 8-methoxy-4-(4-methoxyphenyl)-5-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine IUPAC Name: 8-methoxy-4-(4-methoxyphenyl)-5-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3,4-dihydro-2H-1,5-benzoxazepine Traditional Name: 5-(3-isobutoxy-2-pyrrolidino-propyl)-8-methoxy-4-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzoxazepine Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CN1C(CCOC2=C1C=CC(=C2)OC)C3=CC=C(C=C3)OC)N4CCCC4

Isomeric SMILES

CC(C)COCC(CN1C(CCOC2=C1C=CC(=C2)OC)C3=CC=C(C=C3)OC)N4CCCC4

InChI

InChI=1S/C28H40N2O4/c1-21(2)19-33-20-23(29-14-5-6-15-29)18-30-26(22-7-9-24(31-3)10-8-22)13-16-34-28-17-25(32-4)11-12-27(28)30/h7-12,17,21,23,26H,5-6,13-16,18-20H2,1-4H3