4-[(3S)-1-cyclopropyl-6-oxidanylidene-piperidin-3-yl]carbonyl-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one

Systemtic Name: 4-[(3S)-1-cyclopropyl-6-oxidanylidene-piperidin-3-yl]carbonyl-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one Openeye Name: 4-[(3S)-1-cyclopropyl-6-oxo-piperidine-3-carbonyl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one CAS Name: 4-[[(3S)-1-cyclopropyl-6-oxo-3-piperidinyl]-oxomethyl]-1-[(3,5-dimethylphenyl)methyl]-2-piperazinone IUPAC Name: 4-[(3S)-1-cyclopropyl-6-oxopiperidine-3-carbonyl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one Traditional Name: 4-[(3S)-1-cyclopropyl-6-keto-nipecotoyl]-1-(3,5-dimethylbenzyl)piperazin-2-one Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2CCN(CC2=O)C(=O)C3CCC(=O)N(C3)C4CC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2CCN(CC2=O)C(=O)[C@H]3CCC(=O)N(C3)C4CC4)C

InChI

InChI=1S/C22H29N3O3/c1-15-9-16(2)11-17(10-15)12-23-7-8-24(14-21(23)27)22(28)18-3-6-20(26)25(13-18)19-4-5-19/h9-11,18-19H,3-8,12-14H2,1-2H3/t18-/m0/s1