[1-[(4-methoxyphenyl)amino]isoquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [1-[(4-methoxyphenyl)amino]isoquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-(4-methoxyanilino)-4-isoquinolyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-(4-methoxyanilino)-4-isoquinolinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-(4-methoxyanilino)isoquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(p-anisidino)-4-isoquinolyl]-(4-phenylpiperazino)methanone Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c1-33-22-13-11-20(12-14-22)29-26-24-10-6-5-9-23(24)25(19-28-26)27(32)31-17-15-30(16-18-31)21-7-3-2-4-8-21/h2-14,19H,15-18H2,1H3,(H,28,29)