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

Systemtic Name: 7-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one Openeye Name: 6-nitro-7-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]-1H-quinazolin-4-one CAS Name: 7-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-6-nitro-1H-quinazolin-4-one Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-15-3-5-16(6-4-15)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)