1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-(4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]-4-(4-propoxyphenyl)butane-1,4-dione CAS Name: 1-[4-(4-methyl-1,2,4-triazol-3-yl)-1-piperidinyl]-4-(4-propoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione Traditional Name: 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidino]-4-(4-propoxyphenyl)butane-1,4-dione Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C3=NN=CN3C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C3=NN=CN3C

InChI

InChI=1S/C21H28N4O3/c1-3-14-28-18-6-4-16(5-7-18)19(26)8-9-20(27)25-12-10-17(11-13-25)21-23-22-15-24(21)2/h4-7,15,17H,3,8-14H2,1-2H3