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

Systemtic Name: N,N-diethyl-1-[[(3S)-1-(2-methylphenyl)carbonylpiperidin-3-yl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[[(3S)-1-(2-methylbenzoyl)-3-piperidyl]methyl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[[(3S)-1-[(2-methylphenyl)-oxomethyl]-3-piperidinyl]methyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[[(3S)-1-o-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=C3C

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)C[C@H]2CCCN(C2)C(=O)C3=CC=CC=C3C

InChI

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