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

Systemtic Name: 2-(3-chlorophenyl)-3-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]-1-oxidanylidene-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)-3-[[4-(1-methyl-4-piperidyl)piperazin-1-yl]methyl]-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 2-(3-chlorophenyl)-3-[[4-(1-methyl-4-piperidinyl)-1-piperazinyl]methyl]-1-oxo-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)-3-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 2-(3-chlorophenyl)-1-keto-3-[[4-(1-methyl-4-piperidyl)piperazino]methyl]-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C36H42ClN5O2 MolecularWeight: 612.20398

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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)Cl)CN5CCN(CC5)C6CCN(CC6)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)Cl)CN5CCN(CC5)C6CCN(CC6)C

InChI

InChI=1S/C36H42ClN5O2/c1-3-32(26-10-5-4-6-11-26)38-35(43)34-30-14-7-8-15-31(30)36(44)42(29-13-9-12-27(37)24-29)33(34)25-40-20-22-41(23-21-40)28-16-18-39(2)19-17-28/h4-15,24,28,32H,3,16-23,25H2,1-2H3,(H,38,43)/t32-/m0/s1