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

Systemtic Name: ethyl 3-[(3-bromophenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[(3-bromobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(3-bromophenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-bromobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(3-bromobenzoyl)amino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C22H26BrN3O3 MolecularWeight: 460.36414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3/c1-3-25-10-12-26(13-11-25)20-9-8-17(22(28)29-4-2)15-19(20)24-21(27)16-6-5-7-18(23)14-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,27)