4-(azepan-1-yl)-N-[4-(cyanomethyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[4-(cyanomethyl)phenyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[4-(cyanomethyl)phenyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[4-(cyanomethyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[4-(cyanomethyl)phenyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[4-(cyanomethyl)phenyl]-3-nitro-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c22-12-11-16-5-8-18(9-6-16)23-21(26)17-7-10-19(20(15-17)25(27)28)24-13-3-1-2-4-14-24/h5-10,15H,1-4,11,13-14H2,(H,23,26)