1-[(3S)-1-[3-(dimethylamino)phenyl]carbonylpiperidin-3-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(3S)-1-[3-(dimethylamino)phenyl]carbonylpiperidin-3-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-[3-(dimethylamino)benzoyl]-3-piperidyl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-[[3-(dimethylamino)phenyl]-oxomethyl]-3-piperidinyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[(3S)-1-[3-(dimethylamino)benzoyl]-3-piperidyl]-N-isopropyl-triazole-4-carboxamide Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CCCN(C2)C(=O)C3=CC(=CC=C3)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O2/c1-14(2)21-19(27)18-13-26(23-22-18)17-9-6-10-25(12-17)20(28)15-7-5-8-16(11-15)24(3)4/h5,7-8,11,13-14,17H,6,9-10,12H2,1-4H3,(H,21,27)/t17-/m0/s1