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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-(1,2,3,4-tetrazol-1-yl)benzamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-3-(tetrazol-1-yl)benzamide CAS Name: N-[2-(1-azepanyl)phenyl]-3-(1-tetrazolyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-3-(tetrazol-1-yl)benzamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-3-(tetrazol-1-yl)benzamide Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)N4C=NN=N4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)N4C=NN=N4

InChI

InChI=1S/C20H22N6O/c27-20(16-8-7-9-17(14-16)26-15-21-23-24-26)22-18-10-3-4-11-19(18)25-12-5-1-2-6-13-25/h3-4,7-11,14-15H,1-2,5-6,12-13H2,(H,22,27)