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

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-isoquinoline-6-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-5-hydroxy-3-(morpholinomethyl)isoquinoline-6-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-5-hydroxy-3-(4-morpholinylmethyl)-6-isoquinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-5-hydroxy-3-(morpholin-4-ylmethyl)isoquinoline-6-carboxamide Traditional Name: N-(4-chlorobenzyl)-5-hydroxy-3-(morpholinomethyl)isoquinoline-6-carboxamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NC=C3C=CC(=C(C3=C2)O)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1CC2=NC=C3C=CC(=C(C3=C2)O)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O3/c23-17-4-1-15(2-5-17)12-25-22(28)19-6-3-16-13-24-18(11-20(16)21(19)27)14-26-7-9-29-10-8-26/h1-6,11,13,27H,7-10,12,14H2,(H,25,28)