1-[5-butyl-1-(4-methyl-3-phenyl-1,2-dihydropyridin-5-yl)-1,2,4-triazol-3-yl]pentan-1-one

Systemtic Name: 1-[5-butyl-1-(4-methyl-3-phenyl-1,2-dihydropyridin-5-yl)-1,2,4-triazol-3-yl]pentan-1-one Openeye Name: 1-[5-butyl-1-(4-methyl-3-phenyl-1,2-dihydropyridin-5-yl)-1,2,4-triazol-3-yl]pentan-1-one CAS Name: 1-[5-butyl-1-(4-methyl-3-phenyl-1,2-dihydropyridin-5-yl)-1,2,4-triazol-3-yl]-1-pentanone IUPAC Name: 1-[5-butyl-1-(4-methyl-3-phenyl-1,2-dihydropyridin-5-yl)-1,2,4-triazol-3-yl]pentan-1-one Traditional Name: 1-[5-butyl-1-(4-methyl-3-phenyl-1,2-dihydropyridin-5-yl)-1,2,4-triazol-3-yl]pentan-1-one Formula: C23H30N4O MolecularWeight: 378.5105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1C2=CNCC(=C2C)C3=CC=CC=C3)C(=O)CCCC

Isomeric SMILES

CCCCC1=NC(=NN1C2=CNCC(=C2C)C3=CC=CC=C3)C(=O)CCCC

InChI

InChI=1S/C23H30N4O/c1-4-6-13-21(28)23-25-22(14-7-5-2)27(26-23)20-16-24-15-19(17(20)3)18-11-9-8-10-12-18/h8-12,16,24H,4-7,13-15H2,1-3H3