6-chloranyl-3-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-yl]methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[4-(6-ethoxy-4-methyl-2-quinazolinyl)-1,4-diazepan-1-yl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[4-(6-ethoxy-4-methylquinazolin-2-yl)-1,4-diazepan-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-yl]methyl]chromone Formula: C26H27ClN4O3 MolecularWeight: 478.97058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCN(CC3)CC4=COC5=C(C4=O)C=C(C=C5)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCN(CC3)CC4=COC5=C(C4=O)C=C(C=C5)Cl

InChI

InChI=1S/C26H27ClN4O3/c1-3-33-20-6-7-23-21(14-20)17(2)28-26(29-23)31-10-4-9-30(11-12-31)15-18-16-34-24-8-5-19(27)13-22(24)25(18)32/h5-8,13-14,16H,3-4,9-12,15H2,1-2H3