N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]-4-phenyl-butanamide Openeye Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolyl]-4-phenyl-butanamide CAS Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolinyl]-4-phenylbutanamide IUPAC Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]-4-phenylbutanamide Traditional Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-keto-5-isoquinolyl]-4-phenyl-butyramide Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CCCC4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)(CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CCCC4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2O3/c29-24(14-7-11-20-9-3-1-4-10-20)27-23-13-8-12-22-21(23)15-18-28(25(22)30)19-26(31)16-5-2-6-17-26/h1,3-4,8-10,12-13,15,18,31H,2,5-7,11,14,16-17,19H2,(H,27,29)