ethyl 2-[[1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[1-(3-chloro-4-methyl-anilino)isoquinoline-4-carbonyl]amino]acetate CAS Name: 2-[[[1-(3-chloro-4-methylanilino)-4-isoquinolinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-(3-chloro-4-methylanilino)isoquinoline-4-carbonyl]amino]acetate Traditional Name: 2-[[1-(3-chloro-4-methyl-anilino)isoquinoline-4-carbonyl]amino]acetic acid ethyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCOC(=O)CNC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-3-28-19(26)12-24-21(27)17-11-23-20(16-7-5-4-6-15(16)17)25-14-9-8-13(2)18(22)10-14/h4-11H,3,12H2,1-2H3,(H,23,25)(H,24,27)