methyl 4-[3-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-1-phenyl-pyrazin-2-yl]benzoate

Systemtic Name: methyl 4-[3-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-1-phenyl-pyrazin-2-yl]benzoate Openeye Name: methyl 4-[3-chloro-5-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-1-phenyl-pyrazin-2-yl]benzoate CAS Name: 4-[3-chloro-5-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-1-phenyl-2-pyrazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-chloro-5-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-1-phenylpyrazin-2-yl]benzoate Traditional Name: 4-[3-chloro-5-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-1-phenyl-pyrazin-2-yl]benzoic acid methyl ester Formula: C27H22ClN3O3 MolecularWeight: 471.93488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(N=C(C(=O)N2C3=CC=CC=C3)N4CCC5=CC=CC=C5C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(N=C(C(=O)N2C3=CC=CC=C3)N4CCC5=CC=CC=C5C4)Cl

InChI

InChI=1S/C27H22ClN3O3/c1-34-27(33)20-13-11-19(12-14-20)23-24(28)29-25(26(32)31(23)22-9-3-2-4-10-22)30-16-15-18-7-5-6-8-21(18)17-30/h2-14H,15-17H2,1H3