N-[(4-chlorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-oxidanyl-isoquinoline-6-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-oxidanyl-isoquinoline-6-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-5-hydroxy-3-(tetrahydropyran-4-ylmethyl)isoquinoline-6-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-5-hydroxy-3-(4-oxanylmethyl)-6-isoquinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-5-hydroxy-3-(oxan-4-ylmethyl)isoquinoline-6-carboxamide Traditional Name: N-(4-chlorobenzyl)-5-hydroxy-3-(tetrahydropyran-4-ylmethyl)isoquinoline-6-carboxamide Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CC2=NC=C3C=CC(=C(C3=C2)O)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCC1CC2=NC=C3C=CC(=C(C3=C2)O)C(=O)NCC4=CC=C(C=C4)Cl

InChI

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