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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(2-ethylphenyl)-N-methyl-isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(2-ethylphenyl)-N-methyl-isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(2-ethylphenyl)-N-methyl-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(2-ethylphenyl)-N-methylisoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(2-ethylphenyl)-N-methyl-isoquinoline-4-carboxamide Formula: C26H24ClN3O MolecularWeight: 429.94126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C)C(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCC1=CC=CC=C1N(C)C(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C26H24ClN3O/c1-4-18-9-5-8-12-24(18)30(3)26(31)22-16-28-25(21-11-7-6-10-20(21)22)29-19-14-13-17(2)23(27)15-19/h5-16H,4H2,1-3H3,(H,28,29)