3-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(4-fluorobenzyl)-1-keto-2-propyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H25FN2O4 MolecularWeight: 460.496803

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H25FN2O4/c1-2-13-30-25(18-9-12-22-23(14-18)34-16-33-22)24(20-5-3-4-6-21(20)27(30)32)26(31)29-15-17-7-10-19(28)11-8-17/h3-12,14,24-25H,2,13,15-16H2,1H3,(H,29,31)