ethyl 4-(5-oxidanylidene-4-phenylazanyl-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-oxidanylidene-4-phenylazanyl-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-anilino-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate CAS Name: 4-(4-anilino-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-anilino-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(4-anilino-5-keto-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=C(C(=O)CCC3)C(=N2)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=C(C(=O)CCC3)C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3/c1-2-29-21(28)26-13-11-25(12-14-26)20-23-16-9-6-10-17(27)18(16)19(24-20)22-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,22,23,24)