N-[1-[[5-(1H-isoquinolin-2-yl)-4-oxidanylidene-2-(phenylmethyl)pentanoyl]amino]cyclohexyl]isoquinoline-3-carboxamide

Systemtic Name: N-[1-[[5-(1H-isoquinolin-2-yl)-4-oxidanylidene-2-(phenylmethyl)pentanoyl]amino]cyclohexyl]isoquinoline-3-carboxamide Openeye Name: N-[1-[[2-benzyl-5-(1H-isoquinolin-2-yl)-4-oxo-pentanoyl]amino]cyclohexyl]isoquinoline-3-carboxamide CAS Name: N-[1-[[5-(1H-isoquinolin-2-yl)-1,4-dioxo-2-(phenylmethyl)pentyl]amino]cyclohexyl]-3-isoquinolinecarboxamide IUPAC Name: N-[1-[[2-benzyl-5-(1H-isoquinolin-2-yl)-4-oxopentanoyl]amino]cyclohexyl]isoquinoline-3-carboxamide Traditional Name: N-[1-[[2-benzyl-5-(1H-isoquinolin-2-yl)-4-keto-pentanoyl]amino]cyclohexyl]isoquinoline-3-carboxamide Formula: C37H38N4O3 MolecularWeight: 586.72262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(NC(=O)C2=CC3=CC=CC=C3C=N2)NC(=O)C(CC4=CC=CC=C4)CC(=O)CN5CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CCC(CC1)(NC(=O)C2=CC3=CC=CC=C3C=N2)NC(=O)C(CC4=CC=CC=C4)CC(=O)CN5CC6=CC=CC=C6C=C5

InChI

InChI=1S/C37H38N4O3/c42-33(26-41-20-17-28-13-5-8-16-31(28)25-41)22-32(21-27-11-3-1-4-12-27)35(43)39-37(18-9-2-10-19-37)40-36(44)34-23-29-14-6-7-15-30(29)24-38-34/h1,3-8,11-17,20,23-24,32H,2,9-10,18-19,21-22,25-26H2,(H,39,43)(H,40,44)