5-[(3S)-3-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanyl-1-quinolin-5-yl-pentan-1-one

Systemtic Name: 5-[(3S)-3-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanyl-1-quinolin-5-yl-pentan-1-one Openeye Name: 5-[(3S)-3-(4-benzhydrylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxy-1-(5-quinolyl)pentan-1-one CAS Name: 5-[(3S)-3-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxy-1-(5-quinolinyl)-1-pentanone IUPAC Name: 5-[(3S)-3-(4-benzhydrylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxy-1-quinolin-5-ylpentan-1-one Traditional Name: 5-[(3S)-3-(4-benzhydrylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxy-1-(5-quinolyl)pentan-1-one Formula: C41H42N4O3 MolecularWeight: 638.79718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4CC5=CC=CC=C5CN4CC(CCC(=O)C6=C7C=CC=NC7=CC=C6)O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[C@@H]4CC5=CC=CC=C5CN4CC(CCC(=O)C6=C7C=CC=NC7=CC=C6)O

InChI

InChI=1S/C41H42N4O3/c46-34(20-21-39(47)36-17-9-19-37-35(36)18-10-22-42-37)29-45-28-33-16-8-7-15-32(33)27-38(45)41(48)44-25-23-43(24-26-44)40(30-11-3-1-4-12-30)31-13-5-2-6-14-31/h1-19,22,34,38,40,46H,20-21,23-29H2/t34?,38-/m0/s1