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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-[(2-methoxyphenyl)methyl]isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-[(2-methoxyphenyl)methyl]isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-o-anisyl-isoquinoline-4-carboxamide Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CC=CC=C4OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CC=CC=C4OC)Cl

InChI

InChI=1S/C25H22ClN3O2/c1-16-11-12-18(13-22(16)26)29-24-20-9-5-4-8-19(20)21(15-27-24)25(30)28-14-17-7-3-6-10-23(17)31-2/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30)