1-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]piperidin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]piperidin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-1-piperidyl]-2-phenyl-ethanone CAS Name: 1-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-1-piperidinyl]-2-phenylethanone IUPAC Name: 1-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]-2-phenylethanone Traditional Name: 1-[3-(4-p-anisyl-1,4-diazepane-1-carbonyl)piperidino]-2-phenyl-ethanone Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CCCN(C3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CCCN(C3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-33-25-12-10-23(11-13-25)20-28-14-6-16-29(18-17-28)27(32)24-9-5-15-30(21-24)26(31)19-22-7-3-2-4-8-22/h2-4,7-8,10-13,24H,5-6,9,14-21H2,1H3