(3S)-N-butyl-1-[2-cyclopropyl-1,3-bis(oxidanylidene)isoindol-4-yl]-N-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-butyl-1-[2-cyclopropyl-1,3-bis(oxidanylidene)isoindol-4-yl]-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-benzyl-N-butyl-1-(2-cyclopropyl-1,3-dioxo-isoindolin-4-yl)piperidine-3-carboxamide CAS Name: (3S)-N-butyl-1-(2-cyclopropyl-1,3-dioxo-4-isoindolyl)-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-benzyl-N-butyl-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-benzyl-N-butyl-1-(2-cyclopropyl-1,3-diketo-isoindolin-4-yl)nipecotamide Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C2CCCN(C2)C3=CC=CC4=C3C(=O)N(C4=O)C5CC5

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)[C@H]2CCCN(C2)C3=CC=CC4=C3C(=O)N(C4=O)C5CC5

InChI

InChI=1S/C28H33N3O3/c1-2-3-16-30(18-20-9-5-4-6-10-20)26(32)21-11-8-17-29(19-21)24-13-7-12-23-25(24)28(34)31(27(23)33)22-14-15-22/h4-7,9-10,12-13,21-22H,2-3,8,11,14-19H2,1H3/t21-/m0/s1