4-(azepan-1-yl)-N-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-methyl-4-oxo-quinazolin-3-yl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-methyl-4-oxo-3-quinazolinyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-methyl-4-oxoquinazolin-3-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(4-keto-2-methyl-quinazolin-3-yl)-3-nitro-benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-15-23-18-9-5-4-8-17(18)22(29)26(15)24-21(28)16-10-11-19(20(14-16)27(30)31)25-12-6-2-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,24,28)