7-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[4-(4-chlorobenzyl)-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one Formula: C20H20ClN5O3 MolecularWeight: 413.8575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-])CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-])CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5O3/c21-15-4-2-14(3-5-15)12-24-6-1-7-25(9-8-24)18-11-17-16(10-19(18)26(28)29)20(27)23-13-22-17/h2-5,10-11,13H,1,6-9,12H2,(H,22,23,27)