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4-(azepan-1-yl)-3-nitro-N-(4-oxidanylidenequinazolin-3-yl)benzamide

4-(azepan-1-yl)-3-nitro-N-(4-oxidanylidenequinazolin-3-yl)benzamide

Systemtic Name:4-(azepan-1-yl)-3-nitro-N-(4-oxidanylidenequinazolin-3-yl)benzamide
Openeye Name:4-(azepan-1-yl)-3-nitro-N-(4-oxoquinazolin-3-yl)benzamide
CAS Name:4-(1-azepanyl)-3-nitro-N-(4-oxo-3-quinazolinyl)benzamide
IUPAC Name:4-(azepan-1-yl)-3-nitro-N-(4-oxoquinazolin-3-yl)benzamide
Traditional Name:4-(azepan-1-yl)-N-(4-ketoquinazolin-3-yl)-3-nitro-benzamide
Formula: C21H21N5O4
MolecularWeight: 407.42254
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NN3C=NC4=CC=CC=C4C3=O)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NN3C=NC4=CC=CC=C4C3=O)[N+](=O)[O-]


InChI

InChI=1S/C21H21N5O4/c27-20(23-25-14-22-17-8-4-3-7-16(17)21(25)28)15-9-10-18(19(13-15)26(29)30)24-11-5-1-2-6-12-24/h3-4,7-10,13-14H,1-2,5-6,11-12H2,(H,23,27)


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