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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(1-azepanyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3/c28-21(16-9-10-19(20(13-16)27(29)30)26-15-22-14-23-26)24-17-7-3-4-8-18(17)25-11-5-1-2-6-12-25/h3-4,7-10,13-15H,1-2,5-6,11-12H2,(H,24,28)