4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(4-phenoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)OC

InChI

InChI=1S/C28H29N5O4/c1-35-25-17-23-24(18-26(25)36-2)29-19-30-27(23)32-13-6-14-33(16-15-32)28(34)31-20-9-11-22(12-10-20)37-21-7-4-3-5-8-21/h3-5,7-12,17-19H,6,13-16H2,1-2H3,(H,31,34)