4-[2-(1,3-benzodioxol-5-ylcarbonylamino)-3-phenyl-propanoyl]-N-(3,4-dichlorophenyl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylcarbonylamino)-3-phenyl-propanoyl]-N-(3,4-dichlorophenyl)-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[2-(1,3-benzodioxole-5-carbonylamino)-3-phenyl-propanoyl]-N-(3,4-dichlorophenyl)-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-oxo-3-phenylpropyl]-N-(3,4-dichlorophenyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(1,3-benzodioxole-5-carbonylamino)-3-phenylpropanoyl]-N-(3,4-dichlorophenyl)-2-methylpiperazine-1-carboxamide Traditional Name: N-(3,4-dichlorophenyl)-2-methyl-4-[3-phenyl-2-(piperonyloylamino)propanoyl]piperazine-1-carboxamide Formula: C29H28Cl2N4O5 MolecularWeight: 583.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC(=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)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H28Cl2N4O5/c1-18-16-34(11-12-35(18)29(38)32-21-8-9-22(30)23(31)15-21)28(37)24(13-19-5-3-2-4-6-19)33-27(36)20-7-10-25-26(14-20)40-17-39-25/h2-10,14-15,18,24H,11-13,16-17H2,1H3,(H,32,38)(H,33,36)