1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-3-yl-1,2,3,4-tetrazol-2-yl)-1,2,4-triazol-3-yl]-2-phenyl-ethanone

Systemtic Name: 1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-3-yl-1,2,3,4-tetrazol-2-yl)-1,2,4-triazol-3-yl]-2-phenyl-ethanone Openeye Name: 1-[1-butyl-5-[3-methyl-5-phenyl-4-(3-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]-2-phenyl-ethanone CAS Name: 1-[1-butyl-5-[3-methyl-5-phenyl-4-(3-pyridinyl)-2-tetrazolyl]-1,2,4-triazol-3-yl]-2-phenylethanone IUPAC Name: 1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-3-yltetrazol-2-yl)-1,2,4-triazol-3-yl]-2-phenylethanone Traditional Name: 1-[1-butyl-5-[3-methyl-5-phenyl-4-(3-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]-2-phenyl-ethanone Formula: C27H28N8O MolecularWeight: 480.56422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)N3N=C(N(N3C)C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)N3N=C(N(N3C)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N8O/c1-3-4-18-33-27(29-25(30-33)24(36)19-21-12-7-5-8-13-21)35-31-26(22-14-9-6-10-15-22)34(32(35)2)23-16-11-17-28-20-23/h5-17,20H,3-4,18-19H2,1-2H3