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

Systemtic Name: 7-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one Traditional Name: 6-nitro-7-(4-p-anisyl-1,4-diazepan-1-yl)-1H-quinazolin-4-one Formula: C21H23N5O4 MolecularWeight: 409.43842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-30-16-5-3-15(4-6-16)13-24-7-2-8-25(10-9-24)19-12-18-17(11-20(19)26(28)29)21(27)23-14-22-18/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,22,23,27)