N-[1-[4-(2,4-dichlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-pentyl-benzamide

Systemtic Name: N-[1-[4-(2,4-dichlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-pentyl-benzamide Openeye Name: N-[1-benzyl-2-[4-(2,4-dichlorobenzoyl)-3-methyl-piperazin-1-yl]-2-oxo-ethyl]-4-pentyl-benzamide CAS Name: N-[1-[4-[(2,4-dichlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide IUPAC Name: N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide Traditional Name: 4-amyl-N-[1-benzyl-2-[4-(2,4-dichlorobenzoyl)-3-methyl-piperazino]-2-keto-ethyl]benzamide Formula: C33H37Cl2N3O3 MolecularWeight: 594.57118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C33H37Cl2N3O3/c1-3-4-6-9-24-12-14-26(15-13-24)31(39)36-30(20-25-10-7-5-8-11-25)33(41)37-18-19-38(23(2)22-37)32(40)28-17-16-27(34)21-29(28)35/h5,7-8,10-17,21,23,30H,3-4,6,9,18-20,22H2,1-2H3,(H,36,39)