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

Systemtic Name: methyl 2-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]benzoate Openeye Name: methyl 2-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]benzoate CAS Name: 2-[[4-(4-methyl-1-piperazinyl)-2-quinazolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]benzoate Traditional Name: 2-[[4-(4-methylpiperazino)quinazolin-2-yl]amino]benzoic acid methyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C21H23N5O2/c1-25-11-13-26(14-12-25)19-15-7-3-5-9-17(15)22-21(24-19)23-18-10-6-4-8-16(18)20(27)28-2/h3-10H,11-14H2,1-2H3,(H,22,23,24)