7-azanyl-3-(2-ethoxy-4-fluoranyl-phenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]quinazolin-4-one

Systemtic Name: 7-azanyl-3-(2-ethoxy-4-fluoranyl-phenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]quinazolin-4-one Openeye Name: 7-amino-3-(2-ethoxy-4-fluoro-phenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]quinazolin-4-one CAS Name: 7-amino-3-(2-ethoxy-4-fluorophenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-4-quinazolinone IUPAC Name: 7-amino-3-(2-ethoxy-4-fluorophenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]quinazolin-4-one Traditional Name: 7-amino-3-(2-ethoxy-4-fluoro-phenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]quinazolin-4-one Formula: C23H28FN5O2 MolecularWeight: 425.499123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)F)N2C(=NC3=C(C2=O)C=CC(=C3)N)CN4CCCN(CC4)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)F)N2C(=NC3=C(C2=O)C=CC(=C3)N)CN4CCCN(CC4)C

InChI

InChI=1S/C23H28FN5O2/c1-3-31-21-13-16(24)5-8-20(21)29-22(15-28-10-4-9-27(2)11-12-28)26-19-14-17(25)6-7-18(19)23(29)30/h5-8,13-14H,3-4,9-12,15,25H2,1-2H3