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

Systemtic Name: N-butyl-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-butyl-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-butyl-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-butyl-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-butyl-2-(4-fluorobenzyl)-1-keto-3-(4-methoxyphenyl)-N-methyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C29H31FN2O3 MolecularWeight: 474.566443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1C(N(C(=O)C2=CC=CC=C12)CC3=CC=C(C=C3)F)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN(C)C(=O)C1C(N(C(=O)C2=CC=CC=C12)CC3=CC=C(C=C3)F)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H31FN2O3/c1-4-5-18-31(2)29(34)26-24-8-6-7-9-25(24)28(33)32(19-20-10-14-22(30)15-11-20)27(26)21-12-16-23(35-3)17-13-21/h6-17,26-27H,4-5,18-19H2,1-3H3