N-[4-[3-(1,7-diphenylheptan-4-ylcarbamoyl)piperidin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]quinoline-6-carboxamide

Systemtic Name: N-[4-[3-(1,7-diphenylheptan-4-ylcarbamoyl)piperidin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]quinoline-6-carboxamide Openeye Name: N-[1-benzyl-2-hydroxy-3-[3-[[4-phenyl-1-(3-phenylpropyl)butyl]carbamoyl]-1-piperidyl]propyl]quinoline-6-carboxamide CAS Name: N-[4-[3-[(1,7-diphenylheptan-4-ylamino)-oxomethyl]-1-piperidinyl]-3-hydroxy-1-phenylbutan-2-yl]-6-quinolinecarboxamide IUPAC Name: N-[4-[3-(1,7-diphenylheptan-4-ylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]quinoline-6-carboxamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[3-[[4-phenyl-1-(3-phenylpropyl)butyl]carbamoyl]piperidino]propyl]quinoline-6-carboxamide Formula: C45H52N4O3 MolecularWeight: 696.91938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(C(CC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=CC=C4)O)C(=O)NC(CCCC5=CC=CC=C5)CCCC6=CC=CC=C6

Isomeric SMILES

C1CC(CN(C1)CC(C(CC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=CC=C4)O)C(=O)NC(CCCC5=CC=CC=C5)CCCC6=CC=CC=C6

InChI

InChI=1S/C45H52N4O3/c50-43(42(30-36-18-8-3-9-19-36)48-44(51)38-26-27-41-37(31-38)22-12-28-46-41)33-49-29-13-23-39(32-49)45(52)47-40(24-10-20-34-14-4-1-5-15-34)25-11-21-35-16-6-2-7-17-35/h1-9,12,14-19,22,26-28,31,39-40,42-43,50H,10-11,13,20-21,23-25,29-30,32-33H2,(H,47,52)(H,48,51)