methyl 6-bromanyl-2-[2-(2-cyclopentylethanoylamino)ethyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 6-bromanyl-2-[2-(2-cyclopentylethanoylamino)ethyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 6-bromo-2-[2-[(2-cyclopentylacetyl)amino]ethyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 6-bromo-2-[2-[(2-cyclopentyl-1-oxoethyl)amino]ethyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-[2-[(2-cyclopentylacetyl)amino]ethyl]-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 6-bromo-2-[2-[(2-cyclopentylacetyl)amino]ethyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C26H27BrN2O4 MolecularWeight: 511.40758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CCNC(=O)CC3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CCNC(=O)CC3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H27BrN2O4/c1-33-26(32)24-23(18-9-3-2-4-10-18)21-16-19(27)11-12-20(21)25(31)29(24)14-13-28-22(30)15-17-7-5-6-8-17/h2-4,9-12,16-17H,5-8,13-15H2,1H3,(H,28,30)