[1-[(4-chloranyl-2-methoxy-phenyl)amino]isoquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [1-[(4-chloranyl-2-methoxy-phenyl)amino]isoquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-(4-chloro-2-methoxy-anilino)-4-isoquinolyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-(4-chloro-2-methoxyanilino)-4-isoquinolinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-(4-chloro-2-methoxyanilino)isoquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(4-chloro-2-methoxy-anilino)-4-isoquinolyl]-(4-phenylpiperazino)methanone Formula: C27H25ClN4O2 MolecularWeight: 472.966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN4O2/c1-34-25-17-19(28)11-12-24(25)30-26-22-10-6-5-9-21(22)23(18-29-26)27(33)32-15-13-31(14-16-32)20-7-3-2-4-8-20/h2-12,17-18H,13-16H2,1H3,(H,29,30)