2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxidanylidene-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxidanylidene-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-N-(2-pyridylmethyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-N-(2-pyridinylmethyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-(4-fluorobenzyl)-1-keto-3-(4-methoxyphenyl)-N-(2-pyridylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C30H26FN3O3 MolecularWeight: 495.544143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)NCC5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C30H26FN3O3/c1-37-24-15-11-21(12-16-24)28-27(29(35)33-18-23-6-4-5-17-32-23)25-7-2-3-8-26(25)30(36)34(28)19-20-9-13-22(31)14-10-20/h2-17,27-28H,18-19H2,1H3,(H,33,35)