methyl 4-[N-(3-bromophenyl)-C-(4-ethylpiperazin-1-yl)carbonimidoyl]benzoate

Systemtic Name: methyl 4-[N-(3-bromophenyl)-C-(4-ethylpiperazin-1-yl)carbonimidoyl]benzoate Openeye Name: methyl 4-[N-(3-bromophenyl)-C-(4-ethylpiperazin-1-yl)carbonimidoyl]benzoate CAS Name: 4-[(3-bromophenyl)imino-(4-ethyl-1-piperazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[N-(3-bromophenyl)-C-(4-ethylpiperazin-1-yl)carbonimidoyl]benzoate Traditional Name: 4-[N-(3-bromophenyl)-C-(4-ethylpiperazino)carbonimidoyl]benzoic acid methyl ester Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=NC2=CC(=CC=C2)Br)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)C(=NC2=CC(=CC=C2)Br)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24BrN3O2/c1-3-24-11-13-25(14-12-24)20(23-19-6-4-5-18(22)15-19)16-7-9-17(10-8-16)21(26)27-2/h4-10,15H,3,11-14H2,1-2H3