N-[1-[4-(2,4-dichlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-[4-(2,4-dichlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-benzyl-2-[4-(2,4-dichlorobenzoyl)-3-methyl-piperazin-1-yl]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[4-[(2,4-dichlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-benzyl-2-[4-(2,4-dichlorobenzoyl)-3-methyl-piperazino]-2-keto-ethyl]-piperonylamide Formula: C29H27Cl2N3O5 MolecularWeight: 568.44778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H27Cl2N3O5/c1-18-16-33(11-12-34(18)28(36)22-9-8-21(30)15-23(22)31)29(37)24(13-19-5-3-2-4-6-19)32-27(35)20-7-10-25-26(14-20)39-17-38-25/h2-10,14-15,18,24H,11-13,16-17H2,1H3,(H,32,35)