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

Systemtic Name: 1-oxidanylidene-3-[(4-phenethylpiperazin-1-yl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 1-oxo-3-[(4-phenethylpiperazin-1-yl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 1-oxo-3-[(4-phenethyl-1-piperazinyl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 1-oxo-3-[(4-phenethylpiperazin-1-yl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-3-[(4-phenethylpiperazino)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C38H40N4O2 MolecularWeight: 584.7498

Click to see the large picture

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)CCC6=CC=CC=C6

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)CCC6=CC=CC=C6

InChI

InChI=1S/C38H40N4O2/c1-2-34(30-16-8-4-9-17-30)39-37(43)36-32-20-12-13-21-33(32)38(44)42(31-18-10-5-11-19-31)35(36)28-41-26-24-40(25-27-41)23-22-29-14-6-3-7-15-29/h3-21,34H,2,22-28H2,1H3,(H,39,43)/t34-/m0/s1