2-[(4-fluorophenyl)methyl]-N-[(1-oxidanylcycloheptyl)methyl]-1-oxidanylidene-isoquinoline-5-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methyl]-N-[(1-oxidanylcycloheptyl)methyl]-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: 2-[(4-fluorophenyl)methyl]-N-[(1-hydroxycycloheptyl)methyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: 2-[(4-fluorophenyl)methyl]-N-[(1-hydroxycycloheptyl)methyl]-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methyl]-N-[(1-hydroxycycloheptyl)methyl]-1-oxoisoquinoline-5-carboxamide Traditional Name: 2-(4-fluorobenzyl)-N-[(1-hydroxycycloheptyl)methyl]-1-keto-isoquinoline-5-carboxamide Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=CC=CC3=C2C=CN(C3=O)CC4=CC=C(C=C4)F)O

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=CC=CC3=C2C=CN(C3=O)CC4=CC=C(C=C4)F)O

InChI

InChI=1S/C25H27FN2O3/c26-19-10-8-18(9-11-19)16-28-15-12-20-21(6-5-7-22(20)24(28)30)23(29)27-17-25(31)13-3-1-2-4-14-25/h5-12,15,31H,1-4,13-14,16-17H2,(H,27,29)