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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(3-pyridylmethyl)isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(3-pyridinylmethyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(3-pyridylmethyl)isoquinoline-4-carboxamide Formula: C23H19ClN4O MolecularWeight: 402.87616

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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=CN=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CN=CC=C4)Cl

InChI

InChI=1S/C23H19ClN4O/c1-15-8-9-17(11-21(15)24)28-22-19-7-3-2-6-18(19)20(14-26-22)23(29)27-13-16-5-4-10-25-12-16/h2-12,14H,13H2,1H3,(H,26,28)(H,27,29)