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

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-pyridin-4-yl-benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-(4-pyridyl)benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-pyridin-4-ylbenzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-pyridin-4-ylbenzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-(4-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=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3/c23-18(20-15-7-9-19-10-8-15)14-5-6-16(17(13-14)22(24)25)21-11-3-1-2-4-12-21/h5-10,13H,1-4,11-12H2,(H,19,20,23)