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

Systemtic Name: ethyl 4-[[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[4-(2-methoxyphenyl)piperazino]isoquinoline-4-carbonyl]amino]benzoic acid ethyl ester Formula: C30H30N4O4 MolecularWeight: 510.5836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C30H30N4O4/c1-3-38-30(36)21-12-14-22(15-13-21)32-29(35)25-20-31-28(24-9-5-4-8-23(24)25)34-18-16-33(17-19-34)26-10-6-7-11-27(26)37-2/h4-15,20H,3,16-19H2,1-2H3,(H,32,35)