3-[[4-(4-methylquinolin-2-yl)piperazin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide

Systemtic Name: 3-[[4-(4-methylquinolin-2-yl)piperazin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[[4-(4-methyl-2-quinolyl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[[4-(4-methyl-2-quinolinyl)-1-piperazinyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[[4-(4-methylquinolin-2-yl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-3-[[4-(4-methyl-2-quinolyl)piperazino]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C40H39N5O2 MolecularWeight: 621.76996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C6=NC7=CC=CC=C7C(=C6)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C6=NC7=CC=CC=C7C(=C6)C

InChI

InChI=1S/C40H39N5O2/c1-3-34(29-14-6-4-7-15-29)42-39(46)38-32-19-10-11-20-33(32)40(47)45(30-16-8-5-9-17-30)36(38)27-43-22-24-44(25-23-43)37-26-28(2)31-18-12-13-21-35(31)41-37/h4-21,26,34H,3,22-25,27H2,1-2H3,(H,42,46)/t34-/m0/s1