6-methyl-3-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-yl]methyl]chromen-4-one

Systemtic Name: 6-methyl-3-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-yl]methyl]chromen-4-one Openeye Name: 6-methyl-3-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-yl]methyl]chromen-4-one CAS Name: 6-methyl-3-[[4-(4,6,7-trimethyl-2-quinazolinyl)-1,4-diazepan-1-yl]methyl]-1-benzopyran-4-one IUPAC Name: 6-methyl-3-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-yl]methyl]chromen-4-one Traditional Name: 6-methyl-3-[[4-(4,6,7-trimethylquinazolin-2-yl)-1,4-diazepan-1-yl]methyl]chromone Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)CN3CCCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)CN3CCCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)C)C)C

InChI

InChI=1S/C27H30N4O2/c1-17-6-7-25-23(12-17)26(32)21(16-33-25)15-30-8-5-9-31(11-10-30)27-28-20(4)22-13-18(2)19(3)14-24(22)29-27/h6-7,12-14,16H,5,8-11,15H2,1-4H3