methyl 1-(pyridin-3-ylmethylamino)isoquinoline-4-carboxylate

Systemtic Name: methyl 1-(pyridin-3-ylmethylamino)isoquinoline-4-carboxylate Openeye Name: methyl 1-(3-pyridylmethylamino)isoquinoline-4-carboxylate CAS Name: 1-(3-pyridinylmethylamino)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(pyridin-3-ylmethylamino)isoquinoline-4-carboxylate Traditional Name: 1-(3-pyridylmethylamino)isoquinoline-4-carboxylic acid methyl ester Formula: C17H15N3O2 MolecularWeight: 293.3199

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)NCC3=CN=CC=C3

InChI

InChI=1S/C17H15N3O2/c1-22-17(21)15-11-20-16(14-7-3-2-6-13(14)15)19-10-12-5-4-8-18-9-12/h2-9,11H,10H2,1H3,(H,19,20)