methyl 2-[[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-[4-(2-methoxyphenyl)piperazino]isoquinoline-4-carbonyl]amino]benzoic acid methyl ester Formula: C29H28N4O4 MolecularWeight: 496.55702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=CC=C5C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C29H28N4O4/c1-36-26-14-8-7-13-25(26)32-15-17-33(18-16-32)27-21-10-4-3-9-20(21)23(19-30-27)28(34)31-24-12-6-5-11-22(24)29(35)37-2/h3-14,19H,15-18H2,1-2H3,(H,31,34)