N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-4-oxidanyl-isoquinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-4-oxidanyl-isoquinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-hydroxy-6-(tetrahydropyran-4-ylmethyl)isoquinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-4-hydroxy-6-(4-oxanylmethyl)-3-isoquinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-hydroxy-6-(oxan-4-ylmethyl)isoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-hydroxy-6-(tetrahydropyran-4-ylmethyl)isoquinoline-3-carboxamide Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1COCCC1CC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C23H23ClN2O3/c24-19-5-2-16(3-6-19)13-26-23(28)21-22(27)20-12-17(1-4-18(20)14-25-21)11-15-7-9-29-10-8-15/h1-6,12,14-15,27H,7-11,13H2,(H,26,28)