tert-butyl 1-[[4-(4-chloranylpyrimidin-5-yl)phenyl]methyl]-6,7-diethanoyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[[4-(4-chloranylpyrimidin-5-yl)phenyl]methyl]-6,7-diethanoyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6,7-diacetyl-1-[[4-(4-chloropyrimidin-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6,7-diacetyl-1-[[4-(4-chloro-5-pyrimidinyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6,7-diacetyl-1-[[4-(4-chloropyrimidin-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6,7-diacetyl-1-[4-(4-chloropyrimidin-5-yl)benzyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C29H30ClN3O4 MolecularWeight: 520.0192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1C(=O)C)C(N(CC2)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)C4=CN=CN=C4Cl

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1C(=O)C)C(N(CC2)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)C4=CN=CN=C4Cl

InChI

InChI=1S/C29H30ClN3O4/c1-17(34)22-13-21-10-11-33(28(36)37-29(3,4)5)26(24(21)14-23(22)18(2)35)12-19-6-8-20(9-7-19)25-15-31-16-32-27(25)30/h6-9,13-16,26H,10-12H2,1-5H3