2-(3-azanylpiperidin-1-yl)-6,7-dimethoxy-3-[(2-nitrophenyl)methyl]quinazolin-4-one

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-6,7-dimethoxy-3-[(2-nitrophenyl)methyl]quinazolin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-6,7-dimethoxy-3-[(2-nitrophenyl)methyl]quinazolin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-6,7-dimethoxy-3-[(2-nitrophenyl)methyl]-4-quinazolinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-6,7-dimethoxy-3-[(2-nitrophenyl)methyl]quinazolin-4-one Traditional Name: 2-(3-aminopiperidino)-6,7-dimethoxy-3-(2-nitrobenzyl)quinazolin-4-one Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N5O5/c1-31-19-10-16-17(11-20(19)32-2)24-22(25-9-5-7-15(23)13-25)26(21(16)28)12-14-6-3-4-8-18(14)27(29)30/h3-4,6,8,10-11,15H,5,7,9,12-13,23H2,1-2H3