1-[3-(4-bromanyl-3-chloranyl-phenyl)-3-(5-methoxy-2-methyl-3-oxidanylidene-1H-isoindol-1-yl)propyl]-N-methyl-4-(2-oxidanylidenepiperidin-1-yl)piperidine-4-carboxamide

Systemtic Name: 1-[3-(4-bromanyl-3-chloranyl-phenyl)-3-(5-methoxy-2-methyl-3-oxidanylidene-1H-isoindol-1-yl)propyl]-N-methyl-4-(2-oxidanylidenepiperidin-1-yl)piperidine-4-carboxamide Openeye Name: 1-[3-(4-bromo-3-chloro-phenyl)-3-(5-methoxy-2-methyl-3-oxo-isoindolin-1-yl)propyl]-N-methyl-4-(2-oxo-1-piperidyl)piperidine-4-carboxamide CAS Name: 1-[3-(4-bromo-3-chlorophenyl)-3-(5-methoxy-2-methyl-3-oxo-1H-isoindol-1-yl)propyl]-N-methyl-4-(2-oxo-1-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-bromo-3-chlorophenyl)-3-(5-methoxy-2-methyl-3-oxo-1H-isoindol-1-yl)propyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide Traditional Name: 1-[3-(4-bromo-3-chloro-phenyl)-3-(3-keto-5-methoxy-2-methyl-isoindolin-1-yl)propyl]-4-(2-ketopiperidino)-N-methyl-isonipecotamide Formula: C31H38BrClN4O4 MolecularWeight: 646.01482

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1(CCN(CC1)CCC(C2C3=C(C=C(C=C3)OC)C(=O)N2C)C4=CC(=C(C=C4)Br)Cl)N5CCCCC5=O

Isomeric SMILES

CNC(=O)C1(CCN(CC1)CCC(C2C3=C(C=C(C=C3)OC)C(=O)N2C)C4=CC(=C(C=C4)Br)Cl)N5CCCCC5=O

InChI

InChI=1S/C31H38BrClN4O4/c1-34-30(40)31(37-14-5-4-6-27(37)38)12-16-36(17-13-31)15-11-22(20-7-10-25(32)26(33)18-20)28-23-9-8-21(41-3)19-24(23)29(39)35(28)2/h7-10,18-19,22,28H,4-6,11-17H2,1-3H3,(H,34,40)