1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)isoquinoline-4-carboxamide

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-(5-methylisoxazol-3-yl)isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-(5-methyl-3-isoxazolyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-(5-methylisoxazol-3-yl)isoquinoline-4-carboxamide Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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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)NC4=NOC(=C4)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=NOC(=C4)C)Cl

InChI

InChI=1S/C21H17ClN4O2/c1-12-7-8-14(10-18(12)22)24-20-16-6-4-3-5-15(16)17(11-23-20)21(27)25-19-9-13(2)28-26-19/h3-11H,1-2H3,(H,23,24)(H,25,26,27)