(4-dimethylaminophenyl)-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone

Systemtic Name: (4-dimethylaminophenyl)-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone Openeye Name: (4-dimethylaminophenyl)-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]methanone CAS Name: (4-dimethylaminophenyl)-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-1-pyrrolidinyl]methanone IUPAC Name: (4-dimethylaminophenyl)-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone Traditional Name: (4-dimethylaminophenyl)-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyrrolidino]methanone Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCCC2C3=NC(=NN3)C4=CC=NC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCCC2C3=NC(=NN3)C4=CC=NC=C4

InChI

InChI=1S/C20H22N6O/c1-25(2)16-7-5-15(6-8-16)20(27)26-13-3-4-17(26)19-22-18(23-24-19)14-9-11-21-12-10-14/h5-12,17H,3-4,13H2,1-2H3,(H,22,23,24)