N-butyl-1-[(3-chloranyl-4-methyl-phenyl)amino]-N-methyl-isoquinoline-4-carboxamide

Systemtic Name: N-butyl-1-[(3-chloranyl-4-methyl-phenyl)amino]-N-methyl-isoquinoline-4-carboxamide Openeye Name: N-butyl-1-(3-chloro-4-methyl-anilino)-N-methyl-isoquinoline-4-carboxamide CAS Name: N-butyl-1-(3-chloro-4-methylanilino)-N-methyl-4-isoquinolinecarboxamide IUPAC Name: N-butyl-1-(3-chloro-4-methylanilino)-N-methylisoquinoline-4-carboxamide Traditional Name: N-butyl-1-(3-chloro-4-methyl-anilino)-N-methyl-isoquinoline-4-carboxamide Formula: C22H24ClN3O MolecularWeight: 381.89846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCCCN(C)C(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C22H24ClN3O/c1-4-5-12-26(3)22(27)19-14-24-21(18-9-7-6-8-17(18)19)25-16-11-10-15(2)20(23)13-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,25)