2-azanyl-N-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-pyridin-2-yl-propanamide trihydrochloride

Systemtic Name: 2-azanyl-N-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-pyridin-2-yl-propanamide trihydrochloride Openeye Name: 2-amino-N-[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-pyridyl)propanamide trihydrochloride CAS Name: 2-amino-N-[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-3-(2-pyridinyl)propanamide trihydrochloride IUPAC Name: 2-amino-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-pyridin-2-ylpropanamide trihydrochloride Traditional Name: 2-amino-N-[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]-3-(2-pyridyl)propionamide trihydrochloride Formula: C21H30Cl3N5O2 MolecularWeight: 490.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C(CC3=CC=CC=N3)N.Cl.Cl.Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C(CC3=CC=CC=N3)N.Cl.Cl.Cl

InChI

InChI=1S/C21H27N5O2.3ClH/c1-16(24-20(27)19(22)15-17-7-5-6-10-23-17)21(28)26-13-11-25(12-14-26)18-8-3-2-4-9-18;;;/h2-10,16,19H,11-15,22H2,1H3,(H,24,27);3*1H