N-[1-[[5-(1H-isoquinolin-2-yl)-2-(phenylmethyl)pentanoyl]amino]cyclohexyl]isoquinoline-3-carboxamide

Systemtic Name: N-[1-[[5-(1H-isoquinolin-2-yl)-2-(phenylmethyl)pentanoyl]amino]cyclohexyl]isoquinoline-3-carboxamide Openeye Name: N-[1-[[2-benzyl-5-(1H-isoquinolin-2-yl)pentanoyl]amino]cyclohexyl]isoquinoline-3-carboxamide CAS Name: N-[1-[[5-(1H-isoquinolin-2-yl)-1-oxo-2-(phenylmethyl)pentyl]amino]cyclohexyl]-3-isoquinolinecarboxamide IUPAC Name: N-[1-[[2-benzyl-5-(1H-isoquinolin-2-yl)pentanoyl]amino]cyclohexyl]isoquinoline-3-carboxamide Traditional Name: N-[1-[[2-benzyl-5-(1H-isoquinolin-2-yl)pentanoyl]amino]cyclohexyl]isoquinoline-3-carboxamide Formula: C37H40N4O2 MolecularWeight: 572.7391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(NC(=O)C2=CC3=CC=CC=C3C=N2)NC(=O)C(CCCN4CC5=CC=CC=C5C=C4)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)(NC(=O)C2=CC3=CC=CC=C3C=N2)NC(=O)C(CCCN4CC5=CC=CC=C5C=C4)CC6=CC=CC=C6

InChI

InChI=1S/C37H40N4O2/c42-35(39-37(20-9-2-10-21-37)40-36(43)34-25-30-15-6-7-16-32(30)26-38-34)31(24-28-12-3-1-4-13-28)18-11-22-41-23-19-29-14-5-8-17-33(29)27-41/h1,3-8,12-17,19,23,25-26,31H,2,9-11,18,20-22,24,27H2,(H,39,42)(H,40,43)