methyl 5-[(2,4-dichlorophenyl)methylcarbamoylamino]isoquinoline-3-carboxylate

Systemtic Name: methyl 5-[(2,4-dichlorophenyl)methylcarbamoylamino]isoquinoline-3-carboxylate Openeye Name: methyl 5-[(2,4-dichlorophenyl)methylcarbamoylamino]isoquinoline-3-carboxylate CAS Name: 5-[[[(2,4-dichlorophenyl)methylamino]-oxomethyl]amino]-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2,4-dichlorophenyl)methylcarbamoylamino]isoquinoline-3-carboxylate Traditional Name: 5-[(2,4-dichlorobenzyl)carbamoylamino]isoquinoline-3-carboxylic acid methyl ester Formula: C19H15Cl2N3O3 MolecularWeight: 404.2467

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H15Cl2N3O3/c1-27-18(25)17-8-14-11(9-22-17)3-2-4-16(14)24-19(26)23-10-12-5-6-13(20)7-15(12)21/h2-9H,10H2,1H3,(H2,23,24,26)