N,N-diethyl-1-[[(3S)-1-(3-methylphenyl)carbonylpiperidin-3-yl]methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[[(3S)-1-(3-methylphenyl)carbonylpiperidin-3-yl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[[(3S)-1-(3-methylbenzoyl)-3-piperidyl]methyl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[[(3S)-1-[(3-methylphenyl)-oxomethyl]-3-piperidinyl]methyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[[(3S)-1-(3-methylbenzoyl)piperidin-3-yl]methyl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[[(3S)-1-m-toluoyl-3-piperidyl]methyl]triazole-4-carboxamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)CC2CCCN(C2)C(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)C[C@H]2CCCN(C2)C(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H29N5O2/c1-4-24(5-2)21(28)19-15-26(23-22-19)14-17-9-7-11-25(13-17)20(27)18-10-6-8-16(3)12-18/h6,8,10,12,15,17H,4-5,7,9,11,13-14H2,1-3H3/t17-/m0/s1