5-[4-[methyl(phenethyl)amino]piperidin-1-yl]carbonyl-2-(1,2,4-triazol-1-yl)benzenecarbonitrile hydrochloride

Systemtic Name: 5-[4-[methyl(phenethyl)amino]piperidin-1-yl]carbonyl-2-(1,2,4-triazol-1-yl)benzenecarbonitrile hydrochloride Openeye Name: 5-[4-[methyl(phenethyl)amino]piperidine-1-carbonyl]-2-(1,2,4-triazol-1-yl)benzonitrile hydrochloride CAS Name: 5-[[4-[methyl(phenethyl)amino]-1-piperidinyl]-oxomethyl]-2-(1,2,4-triazol-1-yl)benzonitrile hydrochloride IUPAC Name: 5-[4-[methyl(phenethyl)amino]piperidine-1-carbonyl]-2-(1,2,4-triazol-1-yl)benzonitrile hydrochloride Traditional Name: 5-[4-[methyl(phenethyl)amino]piperidine-1-carbonyl]-2-(1,2,4-triazol-1-yl)benzonitrile hydrochloride Formula: C24H27ClN6O MolecularWeight: 450.96378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)C#N.Cl

Isomeric SMILES

CN(CCC1=CC=CC=C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)C#N.Cl

InChI

InChI=1S/C24H26N6O.ClH/c1-28(12-9-19-5-3-2-4-6-19)22-10-13-29(14-11-22)24(31)20-7-8-23(21(15-20)16-25)30-18-26-17-27-30;/h2-8,15,17-18,22H,9-14H2,1H3;1H