N1-butan-2-yl-N4-(3-chloranyl-4-methyl-phenyl)isoquinoline-1,4-dicarboxamide

Systemtic Name: N1-butan-2-yl-N4-(3-chloranyl-4-methyl-phenyl)isoquinoline-1,4-dicarboxamide Openeye Name: N4-(3-chloro-4-methyl-phenyl)-N1-sec-butyl-isoquinoline-1,4-dicarboxamide CAS Name: N1-butan-2-yl-N4-(3-chloro-4-methylphenyl)isoquinoline-1,4-dicarboxamide IUPAC Name: 1-N-butan-2-yl-4-N-(3-chloro-4-methylphenyl)isoquinoline-1,4-dicarboxamide Traditional Name: N'-(3-chloro-4-methyl-phenyl)-N-sec-butyl-isoquinoline-1,4-dicarboxamide Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=NC=C(C2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCC(C)NC(=O)C1=NC=C(C2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C22H22ClN3O2/c1-4-14(3)25-22(28)20-17-8-6-5-7-16(17)18(12-24-20)21(27)26-15-10-9-13(2)19(23)11-15/h5-12,14H,4H2,1-3H3,(H,25,28)(H,26,27)