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

Systemtic Name: 3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[[4-(2-morpholinoethyl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[[4-[2-(4-morpholinyl)ethyl]-1-piperazinyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-3-[[4-(2-morpholinoethyl)piperazino]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C36H43N5O3 MolecularWeight: 593.75832

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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)CCN6CCOCC6

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)CCN6CCOCC6

InChI

InChI=1S/C36H43N5O3/c1-2-32(28-11-5-3-6-12-28)37-35(42)34-30-15-9-10-16-31(30)36(43)41(29-13-7-4-8-14-29)33(34)27-40-21-19-38(20-22-40)17-18-39-23-25-44-26-24-39/h3-16,32H,2,17-27H2,1H3,(H,37,42)/t32-/m0/s1