N-(2-chloranyl-4-methyl-phenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C22H22ClN3O MolecularWeight: 379.88258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4)Cl

InChI

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