2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1H-quinazolin-4-one Openeye Name: 2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butyl]-1H-quinazolin-4-one CAS Name: 2-[4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl]-1H-quinazolin-4-one Traditional Name: 2-[4-keto-4-[4-(4-nitrophenyl)piperazino]butyl]-1H-quinazolin-4-one Formula: C22H23N5O4 MolecularWeight: 421.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H23N5O4/c28-21(7-3-6-20-23-19-5-2-1-4-18(19)22(29)24-20)26-14-12-25(13-15-26)16-8-10-17(11-9-16)27(30)31/h1-2,4-5,8-11H,3,6-7,12-15H2,(H,23,24,29)