[1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(3-chloro-4-methyl-anilino)-4-isoquinolyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [1-(3-chloro-4-methylanilino)-4-isoquinolinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [1-(3-chloro-4-methylanilino)isoquinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(3-chloro-4-methyl-anilino)-4-isoquinolyl]-[4-(2-pyridyl)piperazino]methanone Formula: C26H24ClN5O MolecularWeight: 457.95466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=N5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=N5)Cl

InChI

InChI=1S/C26H24ClN5O/c1-18-9-10-19(16-23(18)27)30-25-21-7-3-2-6-20(21)22(17-29-25)26(33)32-14-12-31(13-15-32)24-8-4-5-11-28-24/h2-11,16-17H,12-15H2,1H3,(H,29,30)