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

Systemtic Name: 1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)-1,2,4-triazol-3-yl]propan-1-one Openeye Name: 1-[1-butyl-5-[3-methyl-5-phenyl-4-(4-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]propan-1-one CAS Name: 1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-4-yl-2-tetrazolyl)-1,2,4-triazol-3-yl]-1-propanone IUPAC Name: 1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-4-yltetrazol-2-yl)-1,2,4-triazol-3-yl]propan-1-one Traditional Name: 1-[1-butyl-5-[3-methyl-5-phenyl-4-(4-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]propan-1-one Formula: C22H26N8O MolecularWeight: 418.49484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(=O)CC)N2N=C(N(N2C)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CC)N2N=C(N(N2C)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N8O/c1-4-6-16-28-22(24-20(25-28)19(31)5-2)30-26-21(17-10-8-7-9-11-17)29(27(30)3)18-12-14-23-15-13-18/h7-15H,4-6,16H2,1-3H3