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

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-(3-chloro-4-methyl-anilino)-4-isoquinolyl]-(1-piperidyl)methanone CAS Name: [1-(3-chloro-4-methylanilino)-4-isoquinolinyl]-(1-piperidinyl)methanone IUPAC Name: [1-(3-chloro-4-methylanilino)isoquinolin-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-(3-chloro-4-methyl-anilino)-4-isoquinolyl]-piperidino-methanone Formula: C22H22ClN3O MolecularWeight: 379.88258

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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)N4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCCCC4)Cl

InChI

InChI=1S/C22H22ClN3O/c1-15-9-10-16(13-20(15)23)25-21-18-8-4-3-7-17(18)19(14-24-21)22(27)26-11-5-2-6-12-26/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,24,25)