methyl 2-[(3-aminocarbonyl-2-phenyl-3,4-dihydropyrazol-5-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[(3-aminocarbonyl-2-phenyl-3,4-dihydropyrazol-5-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazol-5-yl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(5-carbamoyl-1-phenyl-2-pyrazoline-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=NN(C(C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=NN(C(C3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4/c1-30-22(29)19-11-14-7-5-6-8-15(14)13-25(19)21(28)17-12-18(20(23)27)26(24-17)16-9-3-2-4-10-16/h2-10,18-19H,11-13H2,1H3,(H2,23,27)