N-[(2S,3S,5R)-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-1-phenyl-octan-2-yl]cinnoline-4-carboxamide

Systemtic Name: N-[(2S,3S,5R)-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-1-phenyl-octan-2-yl]cinnoline-4-carboxamide Openeye Name: N-[(1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]cinnoline-4-carboxamide CAS Name: N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]-4-cinnolinecarboxamide IUPAC Name: N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]cinnoline-4-carboxamide Traditional Name: N-[(1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]cinnoline-4-carboxamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1=CC=CC=C1)NC(=O)C2=CN=NC3=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=CN=NC3=CC=CC=C32)O)C(=O)NC

InChI

InChI=1S/C26H32N4O3/c1-17(2)13-19(25(32)27-3)15-24(31)23(14-18-9-5-4-6-10-18)29-26(33)21-16-28-30-22-12-8-7-11-20(21)22/h4-12,16-17,19,23-24,31H,13-15H2,1-3H3,(H,27,32)(H,29,33)/t19-,23+,24+/m1/s1