N-(1,7-diphenylheptan-4-yl)-1-isoquinolin-3-ylcarbonyl-4-[(2S)-2-oxidanyl-3-quinolin-5-yloxy-propyl]piperazine-2-carboxamide

Systemtic Name: N-(1,7-diphenylheptan-4-yl)-1-isoquinolin-3-ylcarbonyl-4-[(2S)-2-oxidanyl-3-quinolin-5-yloxy-propyl]piperazine-2-carboxamide Openeye Name: 4-[(2S)-2-hydroxy-3-(5-quinolyloxy)propyl]-1-(isoquinoline-3-carbonyl)-N-[4-phenyl-1-(3-phenylpropyl)butyl]piperazine-2-carboxamide CAS Name: N-(1,7-diphenylheptan-4-yl)-4-[(2S)-2-hydroxy-3-(5-quinolinyloxy)propyl]-1-[3-isoquinolinyl(oxo)methyl]-2-piperazinecarboxamide IUPAC Name: N-(1,7-diphenylheptan-4-yl)-4-[(2S)-2-hydroxy-3-quinolin-5-yloxypropyl]-1-(isoquinoline-3-carbonyl)piperazine-2-carboxamide Traditional Name: 4-[(2S)-2-hydroxy-3-(5-quinolyloxy)propyl]-1-(isoquinoline-3-carbonyl)-N-[4-phenyl-1-(3-phenylpropyl)butyl]piperazine-2-carboxamide Formula: C46H49N5O4 MolecularWeight: 735.91236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)NC(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5)C(=O)C6=CC7=CC=CC=C7C=N6

Isomeric SMILES

C1CN(C(CN1C[C@@H](COC2=CC=CC3=C2C=CC=N3)O)C(=O)NC(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5)C(=O)C6=CC7=CC=CC=C7C=N6

InChI

InChI=1S/C46H49N5O4/c52-39(33-55-44-25-11-24-41-40(44)23-12-26-47-41)31-50-27-28-51(46(54)42-29-36-19-7-8-20-37(36)30-48-42)43(32-50)45(53)49-38(21-9-17-34-13-3-1-4-14-34)22-10-18-35-15-5-2-6-16-35/h1-8,11-16,19-20,23-26,29-30,38-39,43,52H,9-10,17-18,21-22,27-28,31-33H2,(H,49,53)/t39-,43?/m0/s1