2-[7-azanyl-1-(3-methoxyphenyl)-5-oxidanylidene-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[7-azanyl-1-(3-methoxyphenyl)-5-oxidanylidene-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one Openeye Name: 2-[7-amino-1-(3-methoxyphenyl)-5-oxo-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one CAS Name: 2-[7-amino-1-(3-methoxyphenyl)-5-oxo-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one IUPAC Name: 2-[7-amino-1-(3-methoxyphenyl)-5-oxo-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one Traditional Name: 2-[7-amino-5-keto-1-(3-methoxyphenyl)-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCCC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC(=C1)N2CCCC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O3/c1-28-14-7-4-6-13(12-14)25-11-5-10-17(26)18(19(25)22)20-23-16-9-3-2-8-15(16)21(27)24-20/h2-4,6-9,12H,5,10-11,22H2,1H3,(H,23,24,27)