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

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(3,5-ditert-butylphenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(3,5-ditert-butylphenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1,4-diazepan-1-yl]-(3,5-ditert-butylphenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-(3,5-ditert-butylphenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(3,5-ditert-butylphenyl)methanone Formula: C30H41N5O3 MolecularWeight: 519.67824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41N5O3/c1-29(2,3)20-14-19(15-21(16-20)30(4,5)6)27(36)34-10-9-11-35(13-12-34)28-32-23-18-25(38-8)24(37-7)17-22(23)26(31)33-28/h14-18H,9-13H2,1-8H3,(H2,31,32,33)