4-(azepan-1-yl)-3-nitro-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-[4-(1-tetrazolyl)phenyl]benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide Formula: C20H21N7O3 MolecularWeight: 407.42584

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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)N4C=NN=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4C=NN=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O3/c28-20(22-16-6-8-17(9-7-16)26-14-21-23-24-26)15-5-10-18(19(13-15)27(29)30)25-11-3-1-2-4-12-25/h5-10,13-14H,1-4,11-12H2,(H,22,28)