1-[3-(3-methyl-5-phenyl-4-pyridin-3-yl-1,2,3,4-tetrazol-2-yl)-2-propyl-3H-1,2,4-triazol-1-yl]butan-1-one

Systemtic Name: 1-[3-(3-methyl-5-phenyl-4-pyridin-3-yl-1,2,3,4-tetrazol-2-yl)-2-propyl-3H-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-[3-methyl-5-phenyl-4-(3-pyridyl)tetrazol-2-yl]-2-propyl-3H-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-[3-methyl-5-phenyl-4-(3-pyridinyl)-2-tetrazolyl]-2-propyl-3H-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3-(3-methyl-5-phenyl-4-pyridin-3-yltetrazol-2-yl)-2-propyl-3H-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-[3-methyl-5-phenyl-4-(3-pyridyl)tetrazol-2-yl]-2-propyl-3H-1,2,4-triazol-1-yl]butan-1-one Formula: C22H28N8O MolecularWeight: 420.51072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C=NC(N1CCC)N2N=C(N(N2C)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N1C=NC(N1CCC)N2N=C(N(N2C)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N8O/c1-4-10-20(31)28-17-24-22(27(28)15-5-2)30-25-21(18-11-7-6-8-12-18)29(26(30)3)19-13-9-14-23-16-19/h6-9,11-14,16-17,22H,4-5,10,15H2,1-3H3