1-[(3-chloranyl-4-methyl-phenyl)amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]isoquinoline-4-carboxamide

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-[3-(3,5-dimethyl-1-piperidyl)propyl]isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-[3-(3,5-dimethylpiperidino)propyl]isoquinoline-4-carboxamide Formula: C27H33ClN4O MolecularWeight: 465.03012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCCNC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl)C

Isomeric SMILES

CC1CC(CN(C1)CCCNC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl)C

InChI

InChI=1S/C27H33ClN4O/c1-18-13-19(2)17-32(16-18)12-6-11-29-27(33)24-15-30-26(23-8-5-4-7-22(23)24)31-21-10-9-20(3)25(28)14-21/h4-5,7-10,14-15,18-19H,6,11-13,16-17H2,1-3H3,(H,29,33)(H,30,31)