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

Systemtic Name: 1-oxidanylidene-3-[(4-pentan-3-ylpiperazin-1-yl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[[4-(1-ethylpropyl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 1-oxo-3-[(4-pentan-3-yl-1-piperazinyl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 1-oxo-3-[(4-pentan-3-ylpiperazin-1-yl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 3-[[4-(1-ethylpropyl)piperazino]methyl]-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C35H42N4O2 MolecularWeight: 550.73358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)CC2=C(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C(=O)NC(CC)C5=CC=CC=C5

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)C(CC)CC

InChI

InChI=1S/C35H42N4O2/c1-4-27(5-2)38-23-21-37(22-24-38)25-32-33(34(40)36-31(6-3)26-15-9-7-10-16-26)29-19-13-14-20-30(29)35(41)39(32)28-17-11-8-12-18-28/h7-20,27,31H,4-6,21-25H2,1-3H3,(H,36,40)/t31-/m0/s1