1-[(3-methylphenyl)methyl]-4-[(3S)-6-oxidanylidene-1-(3-phenylpropyl)piperidin-3-yl]carbonyl-piperazin-2-one

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-[(3S)-6-oxidanylidene-1-(3-phenylpropyl)piperidin-3-yl]carbonyl-piperazin-2-one Openeye Name: 1-(m-tolylmethyl)-4-[(3S)-6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazin-2-one CAS Name: 1-[(3-methylphenyl)methyl]-4-[oxo-[(3S)-6-oxo-1-(3-phenylpropyl)-3-piperidinyl]methyl]-2-piperazinone IUPAC Name: 1-[(3-methylphenyl)methyl]-4-[(3S)-6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazin-2-one Traditional Name: 4-[(3S)-6-keto-1-(3-phenylpropyl)nipecotoyl]-1-(3-methylbenzyl)piperazin-2-one Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2=O)C(=O)C3CCC(=O)N(C3)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2=O)C(=O)[C@H]3CCC(=O)N(C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c1-21-7-5-10-23(17-21)18-29-15-16-30(20-26(29)32)27(33)24-12-13-25(31)28(19-24)14-6-11-22-8-3-2-4-9-22/h2-5,7-10,17,24H,6,11-16,18-20H2,1H3/t24-/m0/s1