[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(3-chloranyl-4-phenylmethoxy-phenyl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(3-chloranyl-4-phenylmethoxy-phenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(4-benzyloxy-3-chloro-phenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1,4-diazepan-1-yl]-(3-chloro-4-phenylmethoxyphenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-(3-chloro-4-phenylmethoxyphenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-(4-benzoxy-3-chloro-phenyl)methanone Formula: C29H30ClN5O4 MolecularWeight: 548.0326

Click to see the large picture

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)Cl)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)Cl)N)OC

InChI

InChI=1S/C29H30ClN5O4/c1-37-25-16-21-23(17-26(25)38-2)32-29(33-27(21)31)35-12-6-11-34(13-14-35)28(36)20-9-10-24(22(30)15-20)39-18-19-7-4-3-5-8-19/h3-5,7-10,15-17H,6,11-14,18H2,1-2H3,(H2,31,32,33)