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

Systemtic Name: methyl 3-[(4-bromophenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(4-bromobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(4-bromobenzoyl)amino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3/c1-3-24-10-12-25(13-11-24)19-9-6-16(21(27)28-2)14-18(19)23-20(26)15-4-7-17(22)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)