4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-phenyl-1,4-diazepane-1-carboxamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-30-18-13-16-17(14-19(18)31-2)25-21(26-20(16)23)27-9-6-10-28(12-11-27)22(29)24-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,24,29)(H2,23,25,26)