N-[1-[[4-(1H-isoquinolin-2-ylmethyl)-2-(phenylmethyl)pent-4-enoyl]amino]cyclohexyl]isoquinoline-3-carboxamide

Systemtic Name: N-[1-[[4-(1H-isoquinolin-2-ylmethyl)-2-(phenylmethyl)pent-4-enoyl]amino]cyclohexyl]isoquinoline-3-carboxamide Openeye Name: N-[1-[[2-benzyl-4-(1H-isoquinolin-2-ylmethyl)pent-4-enoyl]amino]cyclohexyl]isoquinoline-3-carboxamide CAS Name: N-[1-[[4-(1H-isoquinolin-2-ylmethyl)-1-oxo-2-(phenylmethyl)pent-4-enyl]amino]cyclohexyl]-3-isoquinolinecarboxamide IUPAC Name: N-[1-[[2-benzyl-4-(1H-isoquinolin-2-ylmethyl)pent-4-enoyl]amino]cyclohexyl]isoquinoline-3-carboxamide Traditional Name: N-[1-[[2-benzyl-4-(1H-isoquinolin-2-ylmethyl)pent-4-enoyl]amino]cyclohexyl]isoquinoline-3-carboxamide Formula: C38H40N4O2 MolecularWeight: 584.7498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(CC1=CC=CC=C1)C(=O)NC2(CCCCC2)NC(=O)C3=CC4=CC=CC=C4C=N3)CN5CC6=CC=CC=C6C=C5

Isomeric SMILES

C=C(CC(CC1=CC=CC=C1)C(=O)NC2(CCCCC2)NC(=O)C3=CC4=CC=CC=C4C=N3)CN5CC6=CC=CC=C6C=C5

InChI

InChI=1S/C38H40N4O2/c1-28(26-42-21-18-30-14-6-9-17-33(30)27-42)22-34(23-29-12-4-2-5-13-29)36(43)40-38(19-10-3-11-20-38)41-37(44)35-24-31-15-7-8-16-32(31)25-39-35/h2,4-9,12-18,21,24-25,34H,1,3,10-11,19-20,22-23,26-27H2,(H,40,43)(H,41,44)