methyl 6-bromanyl-2-(cyclohexylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 6-bromanyl-2-(cyclohexylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 6-bromo-2-(cyclohexylmethyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 6-bromo-2-(cyclohexylmethyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-(cyclohexylmethyl)-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 6-bromo-2-(cyclohexylmethyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C24H24BrNO3 MolecularWeight: 454.35626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H24BrNO3/c1-29-24(28)22-21(17-10-6-3-7-11-17)20-14-18(25)12-13-19(20)23(27)26(22)15-16-8-4-2-5-9-16/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3