methyl 3-[(5-bromanylnaphthalen-1-yl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(5-bromanylnaphthalen-1-yl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(5-bromonaphthalene-1-carbonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromonaphthalene-1-carbonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(5-bromo-1-naphthoyl)amino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C25H26BrN3O3 MolecularWeight: 496.39624

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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=CC4=C3C=CC=C4Br

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C25H26BrN3O3/c1-3-28-12-14-29(15-13-28)23-11-10-17(25(31)32-2)16-22(23)27-24(30)20-8-4-7-19-18(20)6-5-9-21(19)26/h4-11,16H,3,12-15H2,1-2H3,(H,27,30)