N-[3,4-bis(4-chlorophenyl)butan-2-yl]isoquinoline-5-carboxamide

Systemtic Name: N-[3,4-bis(4-chlorophenyl)butan-2-yl]isoquinoline-5-carboxamide Openeye Name: N-[2,3-bis(4-chlorophenyl)-1-methyl-propyl]isoquinoline-5-carboxamide CAS Name: N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-isoquinolinecarboxamide IUPAC Name: N-[3,4-bis(4-chlorophenyl)butan-2-yl]isoquinoline-5-carboxamide Traditional Name: N-[2,3-bis(4-chlorophenyl)-1-methyl-propyl]isoquinoline-5-carboxamide Formula: C26H22Cl2N2O MolecularWeight: 449.37168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(C(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H22Cl2N2O/c1-17(30-26(31)24-4-2-3-20-16-29-14-13-23(20)24)25(19-7-11-22(28)12-8-19)15-18-5-9-21(27)10-6-18/h2-14,16-17,25H,15H2,1H3,(H,30,31)