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

Systemtic Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxidanylidene-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-N-(3-pyridylmethyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-N-(3-pyridinylmethyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-(4-fluorobenzyl)-1-keto-3-(4-methoxyphenyl)-N-(3-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=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)NCC5=CN=CC=C5

InChI

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