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

Systemtic Name: N,3-dimethyl-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,3-dimethyl-benzimidazole-5-carboxamide CAS Name: N,3-dimethyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]-5-benzimidazolecarboxamide IUPAC Name: N,3-dimethyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]benzimidazole-5-carboxamide Traditional Name: N,3-dimethyl-2-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)benzimidazole-5-carboxamide Formula: C30H27N5O2 MolecularWeight: 489.56768

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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)NC

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)NC

InChI

InChI=1S/C30H27N5O2/c1-6-15-37-22-12-14-24-23(17-22)27(20-9-7-19(8-10-20)18(2)3)34-28(32-24)29-33-25-13-11-21(30(36)31-4)16-26(25)35(29)5/h1,7-14,16-18H,15H2,2-5H3,(H,31,36)