3-[2-(3-chlorophenyl)-1-methyl-piperidin-4-yl]-4-(phenylmethyl)-2-propyl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 3-[2-(3-chlorophenyl)-1-methyl-piperidin-4-yl]-4-(phenylmethyl)-2-propyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-benzyl-3-[2-(3-chlorophenyl)-1-methyl-4-piperidyl]-2-propyl-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 3-[2-(3-chlorophenyl)-1-methyl-4-piperidinyl]-4-(phenylmethyl)-2-propyl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-benzyl-3-[2-(3-chlorophenyl)-1-methylpiperidin-4-yl]-2-propyl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-benzyl-3-[2-(3-chlorophenyl)-1-methyl-4-piperidyl]-2-propyl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C31H37ClN2O MolecularWeight: 489.09128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(N(CC2=CC=CC=C2O1)CC3=CC=CC=C3)C4CCN(C(C4)C5=CC(=CC=C5)Cl)C

Isomeric SMILES

CCCC1C(N(CC2=CC=CC=C2O1)CC3=CC=CC=C3)C4CCN(C(C4)C5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C31H37ClN2O/c1-3-10-30-31(25-17-18-33(2)28(20-25)24-14-9-15-27(32)19-24)34(21-23-11-5-4-6-12-23)22-26-13-7-8-16-29(26)35-30/h4-9,11-16,19,25,28,30-31H,3,10,17-18,20-22H2,1-2H3