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

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-(4-pyridylmethyl)benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-(4-pyridylmethyl)benzamide Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c24-19(21-14-15-7-9-20-10-8-15)16-5-6-17(18(13-16)23(25)26)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12,14H2,(H,21,24)