[1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [1-(3-chloro-4-methyl-anilino)-4-isoquinolyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [1-(3-chloro-4-methylanilino)-4-isoquinolinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [1-(3-chloro-4-methylanilino)isoquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [1-(3-chloro-4-methyl-anilino)-4-isoquinolyl]-(4-methylpiperazino)methanone Formula: C22H23ClN4O MolecularWeight: 394.89722

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O/c1-15-7-8-16(13-20(15)23)25-21-18-6-4-3-5-17(18)19(14-24-21)22(28)27-11-9-26(2)10-12-27/h3-8,13-14H,9-12H2,1-2H3,(H,24,25)