4-[4-(aminomethyl)-1,2,3-triazol-1-yl]-N-(3-ethanoylphenyl)piperidine-1-carboxamide

Systemtic Name: 4-[4-(aminomethyl)-1,2,3-triazol-1-yl]-N-(3-ethanoylphenyl)piperidine-1-carboxamide Openeye Name: N-(3-acetylphenyl)-4-[4-(aminomethyl)triazol-1-yl]piperidine-1-carboxamide CAS Name: N-(3-acetylphenyl)-4-[4-(aminomethyl)-1-triazolyl]-1-piperidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-4-[4-(aminomethyl)triazol-1-yl]piperidine-1-carboxamide Traditional Name: N-(3-acetylphenyl)-4-[4-(aminomethyl)triazol-1-yl]piperidine-1-carboxamide Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)N3C=C(N=N3)CN

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)N3C=C(N=N3)CN

InChI

InChI=1S/C17H22N6O2/c1-12(24)13-3-2-4-14(9-13)19-17(25)22-7-5-16(6-8-22)23-11-15(10-18)20-21-23/h2-4,9,11,16H,5-8,10,18H2,1H3,(H,19,25)