[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C22H23N5O3/c1-16-12-19(26-10-2-3-11-26)8-9-20(16)25-21(28)13-30-22(29)17-4-6-18(7-5-17)27-15-23-14-24-27/h4-9,12,14-15H,2-3,10-11,13H2,1H3,(H,25,28)