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

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-[[1-(2-pyridyl)cyclohexyl]methylamino]ethyl]isoquinoline-3-carboxamide CAS Name: N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[1-(2-pyridinyl)cyclohexyl]methylamino]propan-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-1-methyl-2-[[1-(2-pyridyl)cyclohexyl]methylamino]ethyl]isoquinoline-3-carboxamide Formula: C34H35N5O2 MolecularWeight: 545.674

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC(=O)C5=CC6=CC=CC=C6C=N5

Isomeric SMILES

C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC(=O)C5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C34H35N5O2/c1-33(20-26-22-36-28-14-6-5-13-27(26)28,39-31(40)29-19-24-11-3-4-12-25(24)21-37-29)32(41)38-23-34(16-8-2-9-17-34)30-15-7-10-18-35-30/h3-7,10-15,18-19,21-22,36H,2,8-9,16-17,20,23H2,1H3,(H,38,41)(H,39,40)/t33-/m0/s1