(4-phenylazepan-1-yl)-[3-quinolin-8-yl-5-(1,2,3,4-tetrazol-1-yl)phenyl]methanone

Systemtic Name: (4-phenylazepan-1-yl)-[3-quinolin-8-yl-5-(1,2,3,4-tetrazol-1-yl)phenyl]methanone Openeye Name: (4-phenylazepan-1-yl)-[3-(8-quinolyl)-5-(tetrazol-1-yl)phenyl]methanone CAS Name: (4-phenyl-1-azepanyl)-[3-(8-quinolinyl)-5-(1-tetrazolyl)phenyl]methanone IUPAC Name: (4-phenylazepan-1-yl)-[3-quinolin-8-yl-5-(tetrazol-1-yl)phenyl]methanone Traditional Name: (4-phenylazepan-1-yl)-[3-(8-quinolyl)-5-(tetrazol-1-yl)phenyl]methanone Formula: C29H26N6O MolecularWeight: 474.55634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2=CC(=CC(=C2)C3=CC=CC4=C3N=CC=C4)N5C=NN=N5)C6=CC=CC=C6

Isomeric SMILES

C1CC(CCN(C1)C(=O)C2=CC(=CC(=C2)C3=CC=CC4=C3N=CC=C4)N5C=NN=N5)C6=CC=CC=C6

InChI

InChI=1S/C29H26N6O/c36-29(34-15-6-11-22(13-16-34)21-7-2-1-3-8-21)25-17-24(18-26(19-25)35-20-31-32-33-35)27-12-4-9-23-10-5-14-30-28(23)27/h1-5,7-10,12,14,17-20,22H,6,11,13,15-16H2