2-ethyl-3-phenyl-5-[6-(4-phenylpiperazin-1-yl)pyridin-3-yl]carbonyl-quinazolin-4-one dihydrochloride

Systemtic Name: 2-ethyl-3-phenyl-5-[6-(4-phenylpiperazin-1-yl)pyridin-3-yl]carbonyl-quinazolin-4-one dihydrochloride Openeye Name: 2-ethyl-3-phenyl-5-[6-(4-phenylpiperazin-1-yl)pyridine-3-carbonyl]quinazolin-4-one dihydrochloride CAS Name: 2-ethyl-5-[oxo-[6-(4-phenyl-1-piperazinyl)-3-pyridinyl]methyl]-3-phenyl-4-quinazolinone dihydrochloride IUPAC Name: 2-ethyl-3-phenyl-5-[6-(4-phenylpiperazin-1-yl)pyridine-3-carbonyl]quinazolin-4-one dihydrochloride Traditional Name: 2-ethyl-3-phenyl-5-[6-(4-phenylpiperazino)nicotinoyl]quinazolin-4-one dihydrochloride Formula: C32H31Cl2N5O2 MolecularWeight: 588.52684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC(=C2C(=O)N1C3=CC=CC=C3)C(=O)C4=CN=C(C=C4)N5CCN(CC5)C6=CC=CC=C6.Cl.Cl

Isomeric SMILES

CCC1=NC2=CC=CC(=C2C(=O)N1C3=CC=CC=C3)C(=O)C4=CN=C(C=C4)N5CCN(CC5)C6=CC=CC=C6.Cl.Cl

InChI

InChI=1S/C32H29N5O2.2ClH/c1-2-28-34-27-15-9-14-26(30(27)32(39)37(28)25-12-7-4-8-13-25)31(38)23-16-17-29(33-22-23)36-20-18-35(19-21-36)24-10-5-3-6-11-24;;/h3-17,22H,2,18-21H2,1H3;2*1H