3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]quinazolin-4-one dihydrochloride

Systemtic Name: 3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]quinazolin-4-one dihydrochloride Openeye Name: 3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]quinazolin-4-one dihydrochloride CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-4-quinazolinone dihydrochloride IUPAC Name: 3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]quinazolin-4-one dihydrochloride Traditional Name: 3-[[4-(4-nitrophenyl)piperazino]methyl]quinazolin-4-one dihydrochloride Formula: C19H21Cl2N5O3 MolecularWeight: 438.30774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1CN(CCN1CN2C=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C19H19N5O3.2ClH/c25-19-17-3-1-2-4-18(17)20-13-23(19)14-21-9-11-22(12-10-21)15-5-7-16(8-6-15)24(26)27;;/h1-8,13H,9-12,14H2;2*1H