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

Systemtic Name: ethyl 3-[(5-bromanylnaphthalen-1-yl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C31H28BrN3O4 MolecularWeight: 586.47572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C31H28BrN3O4/c1-2-39-31(38)22-14-15-28(34-16-18-35(19-17-34)30(37)21-8-4-3-5-9-21)27(20-22)33-29(36)25-12-6-11-24-23(25)10-7-13-26(24)32/h3-15,20H,2,16-19H2,1H3,(H,33,36)