N-(3-chloranyl-2-methyl-phenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C22H22ClN3O MolecularWeight: 379.88258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

InChI

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