methyl 5-[(4-bromophenyl)methylcarbamoylamino]isoquinoline-3-carboxylate

Systemtic Name: methyl 5-[(4-bromophenyl)methylcarbamoylamino]isoquinoline-3-carboxylate Openeye Name: methyl 5-[(4-bromophenyl)methylcarbamoylamino]isoquinoline-3-carboxylate CAS Name: 5-[[[(4-bromophenyl)methylamino]-oxomethyl]amino]-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)methylcarbamoylamino]isoquinoline-3-carboxylate Traditional Name: 5-[(4-bromobenzyl)carbamoylamino]isoquinoline-3-carboxylic acid methyl ester Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O3/c1-26-18(24)17-9-15-13(11-21-17)3-2-4-16(15)23-19(25)22-10-12-5-7-14(20)8-6-12/h2-9,11H,10H2,1H3,(H2,22,23,25)