(4-phenylazepan-1-yl)-[3-pyridin-4-yl-5-(1,2,3,4-tetrazol-1-yl)phenyl]methanone

Systemtic Name: (4-phenylazepan-1-yl)-[3-pyridin-4-yl-5-(1,2,3,4-tetrazol-1-yl)phenyl]methanone Openeye Name: (4-phenylazepan-1-yl)-[3-(4-pyridyl)-5-(tetrazol-1-yl)phenyl]methanone CAS Name: (4-phenyl-1-azepanyl)-[3-pyridin-4-yl-5-(1-tetrazolyl)phenyl]methanone IUPAC Name: (4-phenylazepan-1-yl)-[3-pyridin-4-yl-5-(tetrazol-1-yl)phenyl]methanone Traditional Name: (4-phenylazepan-1-yl)-[3-(4-pyridyl)-5-(tetrazol-1-yl)phenyl]methanone Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2=CC(=CC(=C2)C3=CC=NC=C3)N4C=NN=N4)C5=CC=CC=C5

Isomeric SMILES

C1CC(CCN(C1)C(=O)C2=CC(=CC(=C2)C3=CC=NC=C3)N4C=NN=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N6O/c32-25(30-13-4-7-20(10-14-30)19-5-2-1-3-6-19)23-15-22(21-8-11-26-12-9-21)16-24(17-23)31-18-27-28-29-31/h1-3,5-6,8-9,11-12,15-18,20H,4,7,10,13-14H2