methyl 4-[[2-[(3-oxidanylidenepiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoate

Systemtic Name: methyl 4-[[2-[(3-oxidanylidenepiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl 4-[[2-[(3-oxopiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoate CAS Name: 4-[[2-[(3-oxo-1-piperazinyl)methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-oxopiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoate Traditional Name: 4-[[2-[(3-ketopiperazino)methyl]quinazolin-4-yl]amino]butyric acid methyl ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCNC(=O)C3

Isomeric SMILES

COC(=O)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCNC(=O)C3

InChI

InChI=1S/C18H23N5O3/c1-26-17(25)7-4-8-20-18-13-5-2-3-6-14(13)21-15(22-18)11-23-10-9-19-16(24)12-23/h2-3,5-6H,4,7-12H2,1H3,(H,19,24)(H,20,21,22)