methyl 3-(1-ethylpyrrolidin-2-yl)-6,7-dimethyl-1-phenyl-isoquinoline-4-carboxylate

Systemtic Name: methyl 3-(1-ethylpyrrolidin-2-yl)-6,7-dimethyl-1-phenyl-isoquinoline-4-carboxylate Openeye Name: methyl 3-(1-ethylpyrrolidin-2-yl)-6,7-dimethyl-1-phenyl-isoquinoline-4-carboxylate CAS Name: 3-(1-ethyl-2-pyrrolidinyl)-6,7-dimethyl-1-phenyl-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-ethylpyrrolidin-2-yl)-6,7-dimethyl-1-phenylisoquinoline-4-carboxylate Traditional Name: 3-(1-ethylpyrrolidin-2-yl)-6,7-dimethyl-1-phenyl-isoquinoline-4-carboxylic acid methyl ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1C2=C(C3=CC(=C(C=C3C(=N2)C4=CC=CC=C4)C)C)C(=O)OC

Isomeric SMILES

CCN1CCCC1C2=C(C3=CC(=C(C=C3C(=N2)C4=CC=CC=C4)C)C)C(=O)OC

InChI

InChI=1S/C25H28N2O2/c1-5-27-13-9-12-21(27)24-22(25(28)29-4)19-14-16(2)17(3)15-20(19)23(26-24)18-10-7-6-8-11-18/h6-8,10-11,14-15,21H,5,9,12-13H2,1-4H3