N-[3-methyl-1-oxidanylidene-1-[(2-oxidanyl-4-phenyl-butyl)amino]butan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[(2-oxidanyl-4-phenyl-butyl)amino]butan-2-yl]quinoline-2-carboxamide Openeye Name: N-[1-[(2-hydroxy-4-phenyl-butyl)carbamoyl]-2-methyl-propyl]quinoline-2-carboxamide CAS Name: N-[1-[(2-hydroxy-4-phenylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[1-[(2-hydroxy-4-phenylbutyl)amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide Traditional Name: N-[1-[(2-hydroxy-4-phenyl-butyl)carbamoyl]-2-methyl-propyl]quinaldamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(CCC1=CC=CC=C1)O)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)C(C(=O)NCC(CCC1=CC=CC=C1)O)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H29N3O3/c1-17(2)23(25(31)26-16-20(29)14-12-18-8-4-3-5-9-18)28-24(30)22-15-13-19-10-6-7-11-21(19)27-22/h3-11,13,15,17,20,23,29H,12,14,16H2,1-2H3,(H,26,31)(H,28,30)