(3S)-6-oxidanylidene-1-(3-phenylpropyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-6-oxidanylidene-1-(3-phenylpropyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-6-oxo-1-(3-phenylpropyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide CAS Name: (3S)-6-oxo-1-(3-phenylpropyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-6-oxo-1-(3-phenylpropyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-6-keto-1-(3-phenylpropyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]nipecotamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NN=C1CNC(=O)C2CCC(=O)N(C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCCN1C=NN=C1CNC(=O)[C@H]2CCC(=O)N(C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2/c1-2-12-26-16-23-24-19(26)14-22-21(28)18-10-11-20(27)25(15-18)13-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,18H,2,6,9-15H2,1H3,(H,22,28)/t18-/m0/s1