4-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]-N-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-[1-(4-keto-3-p-phenetyl-quinazolin-2-yl)ethyl]-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C29H30N6O5 MolecularWeight: 542.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H30N6O5/c1-3-40-24-14-12-22(13-15-24)34-27(31-26-7-5-4-6-25(26)28(34)36)20(2)32-16-18-33(19-17-32)29(37)30-21-8-10-23(11-9-21)35(38)39/h4-15,20H,3,16-19H2,1-2H3,(H,30,37)