4-(azepan-1-yl)-3-nitro-N-pyridin-2-yl-benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-pyridin-2-yl-benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-(2-pyridyl)benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-(2-pyridinyl)benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-pyridin-2-ylbenzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-(2-pyridyl)benzamide Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3/c23-18(20-17-7-3-4-10-19-17)14-8-9-15(16(13-14)22(24)25)21-11-5-1-2-6-12-21/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,19,20,23)