methyl 5-isoquinolin-1-yl-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 5-isoquinolin-1-yl-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-(1-isoquinolyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-(1-isoquinolinyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-isoquinolin-1-yl-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(1-isoquinolyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C24H21N3O4/c1-14-20(23-19-7-5-4-6-16(19)12-13-25-23)22(21(15(2)26-14)24(28)31-3)17-8-10-18(11-9-17)27(29)30/h4-13,22,26H,1-3H3