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

Systemtic Name: methyl 3-[(5-bromanylnaphthalen-1-yl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-bromonaphthalene-1-carbonyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-bromonaphthalene-1-carbonyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(5-bromo-1-naphthoyl)amino]benzoic acid methyl ester Formula: C30H26BrN3O4 MolecularWeight: 572.44914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC5=C4C=CC=C5Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC5=C4C=CC=C5Br

InChI

InChI=1S/C30H26BrN3O4/c1-38-30(37)21-13-14-27(33-15-17-34(18-16-33)29(36)20-7-3-2-4-8-20)26(19-21)32-28(35)24-11-5-10-23-22(24)9-6-12-25(23)31/h2-14,19H,15-18H2,1H3,(H,32,35)