3-(2-ethoxyphenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one

Systemtic Name: 3-(2-ethoxyphenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one Openeye Name: 3-(2-ethoxyphenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-7-(2-morpholinoethylamino)quinazolin-4-one CAS Name: 3-(2-ethoxyphenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-7-[2-(4-morpholinyl)ethylamino]-4-quinazolinone IUPAC Name: 3-(2-ethoxyphenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one Traditional Name: 2-[(4-methyl-1,4-diazepan-1-yl)methyl]-7-(2-morpholinoethylamino)-3-o-phenetyl-quinazolin-4-one Formula: C29H40N6O3 MolecularWeight: 520.6663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NC3=C(C2=O)C=CC(=C3)NCCN4CCOCC4)CN5CCCN(CC5)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NC3=C(C2=O)C=CC(=C3)NCCN4CCOCC4)CN5CCCN(CC5)C

InChI

InChI=1S/C29H40N6O3/c1-3-38-27-8-5-4-7-26(27)35-28(22-34-13-6-12-32(2)15-16-34)31-25-21-23(9-10-24(25)29(35)36)30-11-14-33-17-19-37-20-18-33/h4-5,7-10,21,30H,3,6,11-20,22H2,1-2H3