methyl 1-[(3-chlorophenyl)amino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-[(3-chlorophenyl)amino]isoquinoline-4-carboxylate Openeye Name: methyl 1-(3-chloroanilino)isoquinoline-4-carboxylate CAS Name: 1-(3-chloroanilino)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-chloroanilino)isoquinoline-4-carboxylate Traditional Name: 1-(3-chloroanilino)isoquinoline-4-carboxylic acid methyl ester Formula: C17H13ClN2O2 MolecularWeight: 312.75032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O2/c1-22-17(21)15-10-19-16(14-8-3-2-7-13(14)15)20-12-6-4-5-11(18)9-12/h2-10H,1H3,(H,19,20)