N-butan-2-yl-1-(2-chlorophenyl)isoquinoline-3-carboxamide

Systemtic Name: N-butan-2-yl-1-(2-chlorophenyl)isoquinoline-3-carboxamide Openeye Name: 1-(2-chlorophenyl)-N-sec-butyl-isoquinoline-3-carboxamide CAS Name: N-butan-2-yl-1-(2-chlorophenyl)-3-isoquinolinecarboxamide IUPAC Name: N-butan-2-yl-1-(2-chlorophenyl)isoquinoline-3-carboxamide Traditional Name: 1-(2-chlorophenyl)-N-sec-butyl-isoquinoline-3-carboxamide Formula: C20H19ClN2O MolecularWeight: 338.83066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H19ClN2O/c1-3-13(2)22-20(24)18-12-14-8-4-5-9-15(14)19(23-18)16-10-6-7-11-17(16)21/h4-13H,3H2,1-2H3,(H,22,24)