N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C23H24ClN3O2 MolecularWeight: 409.90856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O2/c1-15-12-20(21(29-2)13-19(15)24)26-23(28)18-14-25-22(27-10-6-3-7-11-27)17-9-5-4-8-16(17)18/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,26,28)