methyl 9-[4-(aminomethyl)phenyl]-1-oxidanylidene-2H-benzo[h]isoquinoline-6-carboxylate

Systemtic Name: methyl 9-[4-(aminomethyl)phenyl]-1-oxidanylidene-2H-benzo[h]isoquinoline-6-carboxylate Openeye Name: methyl 9-[4-(aminomethyl)phenyl]-1-oxo-2H-benzo[h]isoquinoline-6-carboxylate CAS Name: 9-[4-(aminomethyl)phenyl]-1-oxo-2H-benzo[h]isoquinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 9-[4-(aminomethyl)phenyl]-1-oxo-2H-benzo[h]isoquinoline-6-carboxylate Traditional Name: 9-[4-(aminomethyl)phenyl]-1-keto-2H-benz[h]isoquinoline-6-carboxylic acid methyl ester Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC(=CC2=C3C(=C1)C=CNC3=O)C4=CC=C(C=C4)CN

Isomeric SMILES

COC(=O)C1=C2C=CC(=CC2=C3C(=C1)C=CNC3=O)C4=CC=C(C=C4)CN

InChI

InChI=1S/C22H18N2O3/c1-27-22(26)19-11-16-8-9-24-21(25)20(16)18-10-15(6-7-17(18)19)14-4-2-13(12-23)3-5-14/h2-11H,12,23H2,1H3,(H,24,25)