1-[(3-chloranyl-4-methyl-phenyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]isoquinoline-4-carboxamide

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-[2-(cyclohexen-1-yl)ethyl]isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-[2-(1-cyclohexenyl)ethyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-[2-(cyclohexen-1-yl)ethyl]isoquinoline-4-carboxamide Formula: C25H26ClN3O MolecularWeight: 419.94644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCCC4=CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCCC4=CCCCC4)Cl

InChI

InChI=1S/C25H26ClN3O/c1-17-11-12-19(15-23(17)26)29-24-21-10-6-5-9-20(21)22(16-28-24)25(30)27-14-13-18-7-3-2-4-8-18/h5-7,9-12,15-16H,2-4,8,13-14H2,1H3,(H,27,30)(H,28,29)