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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1COCCN1CC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC4=CC=C(C=C4)Cl)O

InChI

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