[4-[(4-phenylazanylquinazolin-2-yl)amino]cyclohexyl] benzoate

Systemtic Name: [4-[(4-phenylazanylquinazolin-2-yl)amino]cyclohexyl] benzoate Openeye Name: [4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl] benzoate CAS Name: benzoic acid [4-[(4-anilino-2-quinazolinyl)amino]cyclohexyl] ester IUPAC Name: [4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl] benzoate Traditional Name: benzoic acid [4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl] ester Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1NC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c32-26(19-9-3-1-4-10-19)33-22-17-15-21(16-18-22)29-27-30-24-14-8-7-13-23(24)25(31-27)28-20-11-5-2-6-12-20/h1-14,21-22H,15-18H2,(H2,28,29,30,31)