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

Systemtic Name: 5-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-4-phenyl-3,4-dihydro-2H-1,5-benzoxazepine Openeye Name: 5-(3-isobutoxy-2-pyrrolidin-1-yl-propyl)-4-phenyl-3,4-dihydro-2H-1,5-benzoxazepine CAS Name: 5-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-4-phenyl-3,4-dihydro-2H-1,5-benzoxazepine IUPAC Name: 5-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-4-phenyl-3,4-dihydro-2H-1,5-benzoxazepine Traditional Name: 5-(3-isobutoxy-2-pyrrolidino-propyl)-4-phenyl-3,4-dihydro-2H-1,5-benzoxazepine Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CN1C(CCOC2=CC=CC=C21)C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC(C)COCC(CN1C(CCOC2=CC=CC=C21)C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C26H36N2O2/c1-21(2)19-29-20-23(27-15-8-9-16-27)18-28-24(22-10-4-3-5-11-22)14-17-30-26-13-7-6-12-25(26)28/h3-7,10-13,21,23-24H,8-9,14-20H2,1-2H3