N-[(2S,3S,5R)-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-1-phenyl-octan-2-yl]isoquinoline-1-carboxamide

Systemtic Name: N-[(2S,3S,5R)-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-1-phenyl-octan-2-yl]isoquinoline-1-carboxamide Openeye Name: N-[(1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]isoquinoline-1-carboxamide CAS Name: N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]-1-isoquinolinecarboxamide IUPAC Name: N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]isoquinoline-1-carboxamide Traditional Name: N-[(1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]isoquinoline-1-carboxamide Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1=CC=CC=C1)NC(=O)C2=NC=CC3=CC=CC=C32)O)C(=O)NC

Isomeric SMILES

CC(C)C[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CC3=CC=CC=C32)O)C(=O)NC

InChI

InChI=1S/C27H33N3O3/c1-18(2)15-21(26(32)28-3)17-24(31)23(16-19-9-5-4-6-10-19)30-27(33)25-22-12-8-7-11-20(22)13-14-29-25/h4-14,18,21,23-24,31H,15-17H2,1-3H3,(H,28,32)(H,30,33)/t21-,23+,24+/m1/s1