1-butyl-6-(2-methoxyphenyl)-5-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]piperidin-2-one

Systemtic Name: 1-butyl-6-(2-methoxyphenyl)-5-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]piperidin-2-one Openeye Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-1-butyl-6-(2-methoxyphenyl)piperidin-2-one CAS Name: 1-butyl-6-(2-methoxyphenyl)-5-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-2-piperidinone IUPAC Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-1-butyl-6-(2-methoxyphenyl)piperidin-2-one Traditional Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-1-butyl-6-(2-methoxyphenyl)-2-piperidone Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C29H39N3O3/c1-3-4-19-32-27(33)16-15-25(28(32)24-13-8-9-14-26(24)35-2)29(34)31-18-10-17-30(20-21-31)22-23-11-6-5-7-12-23/h5-9,11-14,25,28H,3-4,10,15-22H2,1-2H3