6-[(2-azanyl-2-methyl-propanoyl)amino]-1-isoquinolin-7-yl-5-phenylmethoxy-6-propanoyl-cyclohex-2-ene-1-carboxamide

Systemtic Name: 6-[(2-azanyl-2-methyl-propanoyl)amino]-1-isoquinolin-7-yl-5-phenylmethoxy-6-propanoyl-cyclohex-2-ene-1-carboxamide Openeye Name: 6-[(2-amino-2-methyl-propanoyl)amino]-5-benzyloxy-1-(7-isoquinolyl)-6-propanoyl-cyclohex-2-ene-1-carboxamide CAS Name: 6-[(2-amino-2-methyl-1-oxopropyl)amino]-1-(7-isoquinolinyl)-6-(1-oxopropyl)-5-phenylmethoxy-1-cyclohex-2-enecarboxamide IUPAC Name: 6-[(2-amino-2-methylpropanoyl)amino]-1-isoquinolin-7-yl-5-phenylmethoxy-6-propanoylcyclohex-2-ene-1-carboxamide Traditional Name: 6-[(2-amino-2-methyl-propanoyl)amino]-5-benzoxy-1-(7-isoquinolyl)-6-propionyl-cyclohex-2-ene-1-carboxamide Formula: C30H34N4O4 MolecularWeight: 514.61536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(CC=CC1(C2=CC3=C(C=C2)C=CN=C3)C(=O)N)OCC4=CC=CC=C4)NC(=O)C(C)(C)N

Isomeric SMILES

CCC(=O)C1(C(CC=CC1(C2=CC3=C(C=C2)C=CN=C3)C(=O)N)OCC4=CC=CC=C4)NC(=O)C(C)(C)N

InChI

InChI=1S/C30H34N4O4/c1-4-24(35)30(34-27(37)28(2,3)32)25(38-19-20-9-6-5-7-10-20)11-8-15-29(30,26(31)36)23-13-12-21-14-16-33-18-22(21)17-23/h5-10,12-18,25H,4,11,19,32H2,1-3H3,(H2,31,36)(H,34,37)