methyl 3-[(3,4-dichlorophenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(3,4-dichlorobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(3,4-dichlorophenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(3,4-dichlorobenzoyl)amino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C21H23Cl2N3O3 MolecularWeight: 436.33162

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O3/c1-3-25-8-10-26(11-9-25)19-7-5-15(21(28)29-2)13-18(19)24-20(27)14-4-6-16(22)17(23)12-14/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,27)