N-[3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-[(1-phenylcyclohexyl)methylamino]propan-2-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-[(1-phenylcyclohexyl)methylamino]propan-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]isoquinoline-3-carboxamide CAS Name: N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[(1-phenylcyclohexyl)methylamino]propan-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[(1-phenylcyclohexyl)methylamino]propan-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[1-(1H-indol-3-ylmethyl)-2-keto-1-methyl-2-[(1-phenylcyclohexyl)methylamino]ethyl]isoquinoline-3-carboxamide Formula: C35H36N4O2 MolecularWeight: 544.68594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=C4)NC(=O)C5=CC6=CC=CC=C6C=N5

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=C4)NC(=O)C5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C35H36N4O2/c1-34(21-27-23-36-30-17-9-8-16-29(27)30,39-32(40)31-20-25-12-6-7-13-26(25)22-37-31)33(41)38-24-35(18-10-3-11-19-35)28-14-4-2-5-15-28/h2,4-9,12-17,20,22-23,36H,3,10-11,18-19,21,24H2,1H3,(H,38,41)(H,39,40)