3-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-8-methyl-quinazolin-4-one

Systemtic Name: 3-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-8-methyl-quinazolin-4-one Openeye Name: 3-[3-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-3-oxo-propyl]-8-methyl-quinazolin-4-one CAS Name: 3-[3-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-8-methyl-4-quinazolinone IUPAC Name: 3-[3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]-8-methylquinazolin-4-one Traditional Name: 3-[3-[4-(4-chloro-2-nitro-phenyl)piperazino]-3-keto-propyl]-8-methyl-quinazolin-4-one Formula: C22H22ClN5O4 MolecularWeight: 455.89418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN5O4/c1-15-3-2-4-17-21(15)24-14-27(22(17)30)8-7-20(29)26-11-9-25(10-12-26)18-6-5-16(23)13-19(18)28(31)32/h2-6,13-14H,7-12H2,1H3