[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(3,5-ditert-butyl-4-oxidanyl-phenyl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(3,5-ditert-butyl-4-oxidanyl-phenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1,4-diazepan-1-yl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone Formula: C30H41N5O4 MolecularWeight: 535.67764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

InChI

InChI=1S/C30H41N5O4/c1-29(2,3)20-14-18(15-21(25(20)36)30(4,5)6)27(37)34-10-9-11-35(13-12-34)28-32-22-17-24(39-8)23(38-7)16-19(22)26(31)33-28/h14-17,36H,9-13H2,1-8H3,(H2,31,32,33)