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]butan-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]butan-1-one Openeye Name: 1-[1-butyl-5-[3-methyl-5-phenyl-4-(4-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]butan-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-butanone IUPAC Name: 1-[1-butyl-5-(3-methyl-5-phenyl-4-pyridin-4-yltetrazol-2-yl)-1,2,4-triazol-3-yl]butan-1-one Traditional Name: 1-[1-butyl-5-[3-methyl-5-phenyl-4-(4-pyridyl)tetrazol-2-yl]-1,2,4-triazol-3-yl]butan-1-one Formula: C23H28N8O MolecularWeight: 432.52142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N8O/c1-4-6-17-29-23(25-21(26-29)20(32)10-5-2)31-27-22(18-11-8-7-9-12-18)30(28(31)3)19-13-15-24-16-14-19/h7-9,11-16H,4-6,10,17H2,1-3H3