methyl 2-[[4-(4-phenylpiperazin-1-yl)quinazolin-2-yl]amino]benzoate

Systemtic Name: methyl 2-[[4-(4-phenylpiperazin-1-yl)quinazolin-2-yl]amino]benzoate Openeye Name: methyl 2-[[4-(4-phenylpiperazin-1-yl)quinazolin-2-yl]amino]benzoate CAS Name: 2-[[4-(4-phenyl-1-piperazinyl)-2-quinazolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-phenylpiperazin-1-yl)quinazolin-2-yl]amino]benzoate Traditional Name: 2-[[4-(4-phenylpiperazino)quinazolin-2-yl]amino]benzoic acid methyl ester Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O2/c1-33-25(32)21-12-6-8-14-23(21)28-26-27-22-13-7-5-11-20(22)24(29-26)31-17-15-30(16-18-31)19-9-3-2-4-10-19/h2-14H,15-18H2,1H3,(H,27,28,29)