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

Systemtic Name: 3-[[4-(4-methylpiperazin-1-yl)carbonylpiperidin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[[4-(4-methylpiperazine-1-carbonyl)-1-piperidyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]-1-piperidinyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-3-[[4-(4-methylpiperazine-1-carbonyl)piperidino]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C37H43N5O3 MolecularWeight: 605.76902

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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)CN5CCC(CC5)C(=O)N6CCN(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)CN5CCC(CC5)C(=O)N6CCN(CC6)C

InChI

InChI=1S/C37H43N5O3/c1-3-32(27-12-6-4-7-13-27)38-35(43)34-30-16-10-11-17-31(30)37(45)42(29-14-8-5-9-15-29)33(34)26-40-20-18-28(19-21-40)36(44)41-24-22-39(2)23-25-41/h4-17,28,32H,3,18-26H2,1-2H3,(H,38,43)/t32-/m0/s1