[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(4-phenylmethoxyphenyl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(4-phenylmethoxyphenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(4-benzyloxyphenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1,4-diazepan-1-yl]-(4-phenylmethoxyphenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-(4-phenylmethoxyphenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(4-benzoxyphenyl)methanone Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)N)OC

InChI

InChI=1S/C29H31N5O4/c1-36-25-17-23-24(18-26(25)37-2)31-29(32-27(23)30)34-14-6-13-33(15-16-34)28(35)21-9-11-22(12-10-21)38-19-20-7-4-3-5-8-20/h3-5,7-12,17-18H,6,13-16,19H2,1-2H3,(H2,30,31,32)