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

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-(3-chloro-4-methyl-anilino)-4-isoquinolyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-(3-chloro-4-methylanilino)-4-isoquinolinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-(3-chloro-4-methylanilino)isoquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(3-chloro-4-methyl-anilino)-4-isoquinolyl]-(4-phenylpiperazino)methanone Formula: C27H25ClN4O MolecularWeight: 456.9666

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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=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN4O/c1-19-11-12-20(17-25(19)28)30-26-23-10-6-5-9-22(23)24(18-29-26)27(33)32-15-13-31(14-16-32)21-7-3-2-4-8-21/h2-12,17-18H,13-16H2,1H3,(H,29,30)