N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-(1-methyl-3-indolyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-keto-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C29H28FN3O3 MolecularWeight: 485.549323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3C(C4=CC=CC=C4C(=O)N3CCOC)C(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3C(C4=CC=CC=C4C(=O)N3CCOC)C(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C29H28FN3O3/c1-32-18-24(21-7-5-6-10-25(21)32)27-26(28(34)31-17-19-11-13-20(30)14-12-19)22-8-3-4-9-23(22)29(35)33(27)15-16-36-2/h3-14,18,26-27H,15-17H2,1-2H3,(H,31,34)