2-[2-(3,5-dimethoxyphenyl)-4-oxidanylidene-6-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-3-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-(3,5-dimethoxyphenyl)-4-oxidanylidene-6-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-3-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[2-(3,5-dimethoxyphenyl)-6-(4-isopropyl-1,4-diazepan-1-yl)-4-oxo-quinazolin-3-yl]-N-isopropyl-acetamide CAS Name: 2-[2-(3,5-dimethoxyphenyl)-4-oxo-6-(4-propan-2-yl-1,4-diazepan-1-yl)-3-quinazolinyl]-N-propan-2-ylacetamide IUPAC Name: 2-[2-(3,5-dimethoxyphenyl)-4-oxo-6-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-3-yl]-N-propan-2-ylacetamide Traditional Name: 2-[2-(3,5-dimethoxyphenyl)-6-(4-isopropyl-1,4-diazepan-1-yl)-4-keto-quinazolin-3-yl]-N-isopropyl-acetamide Formula: C29H39N5O4 MolecularWeight: 521.65106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2)N3CCCN(CC3)C(C)C)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC(C)NC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2)N3CCCN(CC3)C(C)C)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C29H39N5O4/c1-19(2)30-27(35)18-34-28(21-14-23(37-5)17-24(15-21)38-6)31-26-9-8-22(16-25(26)29(34)36)33-11-7-10-32(12-13-33)20(3)4/h8-9,14-17,19-20H,7,10-13,18H2,1-6H3,(H,30,35)