N,N,3-trimethyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]benzimidazole-5-carboxamide

Systemtic Name: N,N,3-trimethyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]benzimidazole-5-carboxamide Openeye Name: 2-[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-N,N,3-trimethyl-benzimidazole-5-carboxamide CAS Name: N,N,3-trimethyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]-5-benzimidazolecarboxamide IUPAC Name: N,N,3-trimethyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]benzimidazole-5-carboxamide Traditional Name: N,N,3-trimethyl-2-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)benzimidazole-5-carboxamide Formula: C31H29N5O2 MolecularWeight: 503.59426

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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)C4=NC5=C(N4C)C=C(C=C5)C(=O)N(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C4=NC5=C(N4C)C=C(C=C5)C(=O)N(C)C

InChI

InChI=1S/C31H29N5O2/c1-7-16-38-23-13-15-25-24(18-23)28(21-10-8-20(9-11-21)19(2)3)34-29(32-25)30-33-26-14-12-22(31(37)35(4)5)17-27(26)36(30)6/h1,8-15,17-19H,16H2,2-6H3