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

Systemtic Name: N-(1,7-diphenylheptan-4-yl)-4-[(2S)-2-oxidanyl-3-quinolin-5-yloxy-propyl]-1-(2-phenylmethoxyethanoyl)piperazine-2-carboxamide Openeye Name: 1-(2-benzyloxyacetyl)-4-[(2S)-2-hydroxy-3-(5-quinolyloxy)propyl]-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-(1-oxo-2-phenylmethoxyethyl)-2-piperazinecarboxamide IUPAC Name: N-(1,7-diphenylheptan-4-yl)-4-[(2S)-2-hydroxy-3-quinolin-5-yloxypropyl]-1-(2-phenylmethoxyacetyl)piperazine-2-carboxamide Traditional Name: 1-(2-benzoxyacetyl)-4-[(2S)-2-hydroxy-3-(5-quinolyloxy)propyl]-N-[4-phenyl-1-(3-phenylpropyl)butyl]piperazine-2-carboxamide Formula: C45H52N4O5 MolecularWeight: 728.91818

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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)COCC6=CC=CC=C6

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)COCC6=CC=CC=C6

InChI

InChI=1S/C45H52N4O5/c50-39(33-54-43-26-12-25-41-40(43)24-13-27-46-41)30-48-28-29-49(44(51)34-53-32-37-18-8-3-9-19-37)42(31-48)45(52)47-38(22-10-20-35-14-4-1-5-15-35)23-11-21-36-16-6-2-7-17-36/h1-9,12-19,24-27,38-39,42,50H,10-11,20-23,28-34H2,(H,47,52)/t39-,42?/m0/s1