[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C25H22ClN3O5 MolecularWeight: 479.91228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3O5/c1-4-19(23(30)27-20-13-14(2)34-28-20)33-25(32)22-21(15-9-11-16(26)12-10-15)17-7-5-6-8-18(17)24(31)29(22)3/h5-13,19H,4H2,1-3H3,(H,27,28,30)