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

Systemtic Name: methyl 3-[(5-bromanylnaphthalen-1-yl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(5-bromonaphthalene-1-carbonyl)amino]benzoate CAS Name: 3-[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(5-bromonaphthalene-1-carbonyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(5-bromo-1-naphthoyl)amino]benzoic acid methyl ester Formula: C30H28BrN3O3 MolecularWeight: 558.46562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC5=C4C=CC=C5Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC5=C4C=CC=C5Br

InChI

InChI=1S/C30H28BrN3O3/c1-37-30(36)22-13-14-28(34-17-15-33(16-18-34)20-21-7-3-2-4-8-21)27(19-22)32-29(35)25-11-5-10-24-23(25)9-6-12-26(24)31/h2-14,19H,15-18,20H2,1H3,(H,32,35)