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

Systemtic Name: 4-butan-2-yl-1-(2-chlorophenyl)-N-methyl-isoquinoline-3-carboxamide Openeye Name: 1-(2-chlorophenyl)-N-methyl-4-sec-butyl-isoquinoline-3-carboxamide CAS Name: 4-butan-2-yl-1-(2-chlorophenyl)-N-methyl-3-isoquinolinecarboxamide IUPAC Name: 4-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide Traditional Name: 1-(2-chlorophenyl)-N-methyl-4-sec-butyl-isoquinoline-3-carboxamide Formula: C21H21ClN2O MolecularWeight: 352.85724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3Cl)C(=O)NC

Isomeric SMILES

CCC(C)C1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3Cl)C(=O)NC

InChI

InChI=1S/C21H21ClN2O/c1-4-13(2)18-14-9-5-6-10-15(14)19(24-20(18)21(25)23-3)16-11-7-8-12-17(16)22/h5-13H,4H2,1-3H3,(H,23,25)