N-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide Openeye Name: N-(3-chlorophenyl)-4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carboxamide CAS Name: N-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carboxamide Traditional Name: N-(3-chlorophenyl)-4-p-cumenyl-6-propargyloxy-quinazoline-2-carboxamide Formula: C27H22ClN3O2 MolecularWeight: 455.93548

Click to see the large picture

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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClN3O2/c1-4-14-33-22-12-13-24-23(16-22)25(19-10-8-18(9-11-19)17(2)3)31-26(30-24)27(32)29-21-7-5-6-20(28)15-21/h1,5-13,15-17H,14H2,2-3H3,(H,29,32)