N-(1,7-diphenylheptan-4-yl)-2-[2-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]ethanoylamino]-3-pyridin-3-yl-propanamide

Systemtic Name: N-(1,7-diphenylheptan-4-yl)-2-[2-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]ethanoylamino]-3-pyridin-3-yl-propanamide Openeye Name: 2-[[2-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl]acetyl]amino]-N-[4-phenyl-1-(3-phenylpropyl)butyl]-3-(3-pyridyl)propanamide CAS Name: N-(1,7-diphenylheptan-4-yl)-2-[[2-[4-[2-hydroxy-3-(5-quinolinyloxy)propyl]-1-piperazinyl]-1-oxoethyl]amino]-3-(3-pyridinyl)propanamide IUPAC Name: N-(1,7-diphenylheptan-4-yl)-2-[[2-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]acetyl]amino]-3-pyridin-3-ylpropanamide Traditional Name: 2-[[2-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazino]acetyl]amino]-N-[4-phenyl-1-(3-phenylpropyl)butyl]-3-(3-pyridyl)propionamide Formula: C45H54N6O4 MolecularWeight: 742.94806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)CC(=O)NC(CC4=CN=CC=C4)C(=O)NC(CCCC5=CC=CC=C5)CCCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)CC(=O)NC(CC4=CN=CC=C4)C(=O)NC(CCCC5=CC=CC=C5)CCCC6=CC=CC=C6

InChI

InChI=1S/C45H54N6O4/c52-39(34-55-43-23-9-22-41-40(43)21-11-25-47-41)32-50-26-28-51(29-27-50)33-44(53)49-42(30-37-18-10-24-46-31-37)45(54)48-38(19-7-16-35-12-3-1-4-13-35)20-8-17-36-14-5-2-6-15-36/h1-6,9-15,18,21-25,31,38-39,42,52H,7-8,16-17,19-20,26-30,32-34H2,(H,48,54)(H,49,53)