4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline

Systemtic Name: 4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline Openeye Name: 4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline CAS Name: 4-(1-azepanyl)-2-(3-nitrophenyl)quinazoline IUPAC Name: 4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline Traditional Name: 4-(azepan-1-yl)-2-(3-nitrophenyl)quinazoline Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O2/c25-24(26)16-9-7-8-15(14-16)19-21-18-11-4-3-10-17(18)20(22-19)23-12-5-1-2-6-13-23/h3-4,7-11,14H,1-2,5-6,12-13H2