4-(4-phenylbutan-2-yl)-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(4-phenylbutan-2-yl)-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(1-methyl-3-phenyl-propyl)-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(4-phenylbutan-2-yl)-7-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(4-phenylbutan-2-yl)-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(1-methyl-3-phenyl-propyl)-7-[[4-(2-pyridyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC(CCC1=CC=CC=C1)N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C29H36N4O/c1-24(10-11-25-7-3-2-4-8-25)33-19-20-34-28-13-12-26(21-27(28)23-33)22-31-15-17-32(18-16-31)29-9-5-6-14-30-29/h2-9,12-14,21,24H,10-11,15-20,22-23H2,1H3