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

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-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] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C25H23N3O5 MolecularWeight: 445.46722

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O5/c1-4-19(23(29)26-20-14-15(2)33-27-20)32-25(31)22-21(16-10-6-5-7-11-16)17-12-8-9-13-18(17)24(30)28(22)3/h5-14,19H,4H2,1-3H3,(H,26,27,29)