methyl 4-[2-(1-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]carbonyl-7-(2-sulfamoylphenyl)-2,3-dihydroquinoxaline-1-carboxylate

Systemtic Name: methyl 4-[2-(1-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]carbonyl-7-(2-sulfamoylphenyl)-2,3-dihydroquinoxaline-1-carboxylate Openeye Name: methyl 4-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazole-3-carbonyl]-7-(2-sulfamoylphenyl)-2,3-dihydroquinoxaline-1-carboxylate CAS Name: 4-[[2-(1-amino-7-isoquinolinyl)-5-methyl-3-pyrazolyl]-oxomethyl]-7-(2-sulfamoylphenyl)-2,3-dihydroquinoxaline-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carbonyl]-7-(2-sulfamoylphenyl)-2,3-dihydroquinoxaline-1-carboxylate Traditional Name: 4-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazole-3-carbonyl]-7-(2-sulfamoylphenyl)-2,3-dihydroquinoxaline-1-carboxylic acid methyl ester Formula: C30H27N7O5S MolecularWeight: 597.64428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CCN(C3=C2C=CC(=C3)C4=CC=CC=C4S(=O)(=O)N)C(=O)OC)C5=CC6=C(C=C5)C=CN=C6N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CCN(C3=C2C=CC(=C3)C4=CC=CC=C4S(=O)(=O)N)C(=O)OC)C5=CC6=C(C=C5)C=CN=C6N

InChI

InChI=1S/C30H27N7O5S/c1-18-15-26(37(34-18)21-9-7-19-11-12-33-28(31)23(19)17-21)29(38)35-13-14-36(30(39)42-2)25-16-20(8-10-24(25)35)22-5-3-4-6-27(22)43(32,40)41/h3-12,15-17H,13-14H2,1-2H3,(H2,31,33)(H2,32,40,41)