N-[4-acetamido-3-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide

Systemtic Name: N-[4-acetamido-3-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide Openeye Name: N-[4-acetamido-3-(trifluoromethyl)phenyl]-4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide CAS Name: N-[4-acetamido-3-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinecarboxamide IUPAC Name: N-[4-acetamido-3-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carboxamide Traditional Name: N-[4-acetamido-3-(trifluoromethyl)phenyl]-4-p-cumenyl-6-propargyloxy-quinazoline-2-carboxamide Formula: C30H25F3N4O3 MolecularWeight: 546.53971

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)NC4=CC(=C(C=C4)NC(=O)C)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)NC4=CC(=C(C=C4)NC(=O)C)C(F)(F)F

InChI

InChI=1S/C30H25F3N4O3/c1-5-14-40-22-11-13-25-23(16-22)27(20-8-6-19(7-9-20)17(2)3)37-28(36-25)29(39)35-21-10-12-26(34-18(4)38)24(15-21)30(31,32)33/h1,6-13,15-17H,14H2,2-4H3,(H,34,38)(H,35,39)