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

Systemtic Name: 2-[7-azanyl-1-(4-methoxyphenyl)-5-oxidanylidene-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one Openeye Name: 2-[7-amino-1-(4-methoxyphenyl)-5-oxo-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one CAS Name: 2-[7-amino-1-(4-methoxyphenyl)-5-oxo-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one IUPAC Name: 2-[7-amino-1-(4-methoxyphenyl)-5-oxo-3,4-dihydro-2H-azepin-6-yl]-1H-quinazolin-4-one Traditional Name: 2-[7-amino-5-keto-1-(4-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=C(C=C1)N2CCCC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

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

InChI

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