methyl 4-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]benzoate CAS Name: 4-[[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]amino]benzoate Traditional Name: 4-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]benzoic acid methyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)NC4=CC=C(C=C4)C(=O)OC)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)NC4=CC=C(C=C4)C(=O)OC)N)OC

InChI

InChI=1S/C23H27N5O4/c1-30-19-12-17-18(13-20(19)31-2)26-23(27-21(17)24)28-10-8-16(9-11-28)25-15-6-4-14(5-7-15)22(29)32-3/h4-7,12-13,16,25H,8-11H2,1-3H3,(H2,24,26,27)