1-[3-(2-cyanopropan-2-yl)phenyl]-1-[4-(3-methyl-4-oxidanylidene-quinazolin-6-yl)oxyphenyl]urea

Systemtic Name: 1-[3-(2-cyanopropan-2-yl)phenyl]-1-[4-(3-methyl-4-oxidanylidene-quinazolin-6-yl)oxyphenyl]urea Openeye Name: 1-[3-(1-cyano-1-methyl-ethyl)phenyl]-1-[4-(3-methyl-4-oxo-quinazolin-6-yl)oxyphenyl]urea CAS Name: 1-[3-(2-cyanopropan-2-yl)phenyl]-1-[4-[(3-methyl-4-oxo-6-quinazolinyl)oxy]phenyl]urea IUPAC Name: 1-[3-(2-cyanopropan-2-yl)phenyl]-1-[4-(3-methyl-4-oxoquinazolin-6-yl)oxyphenyl]urea Traditional Name: 1-[3-(1-cyano-1-methyl-ethyl)phenyl]-1-[4-(4-keto-3-methyl-quinazolin-6-yl)oxyphenyl]urea Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC=C1)N(C2=CC=C(C=C2)OC3=CC4=C(C=C3)N=CN(C4=O)C)C(=O)N

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC=C1)N(C2=CC=C(C=C2)OC3=CC4=C(C=C3)N=CN(C4=O)C)C(=O)N

InChI

InChI=1S/C26H23N5O3/c1-26(2,15-27)17-5-4-6-19(13-17)31(25(28)33)18-7-9-20(10-8-18)34-21-11-12-23-22(14-21)24(32)30(3)16-29-23/h4-14,16H,1-3H3,(H2,28,33)