N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-(3-methylbutyl)-3-nitro-benzamide

Systemtic Name: N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-(3-methylbutyl)-3-nitro-benzamide Openeye Name: N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-isopentyl-3-nitro-benzamide CAS Name: N-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]-N-(3-methylbutyl)-3-nitrobenzamide IUPAC Name: N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-3-nitrobenzamide Traditional Name: N-isoamyl-N-[1-(4-keto-3-p-phenetyl-quinazolin-2-yl)ethyl]-3-nitro-benzamide Formula: C30H32N4O5 MolecularWeight: 528.59888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CCC(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CCC(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H32N4O5/c1-5-39-25-15-13-23(14-16-25)33-28(31-27-12-7-6-11-26(27)30(33)36)21(4)32(18-17-20(2)3)29(35)22-9-8-10-24(19-22)34(37)38/h6-16,19-21H,5,17-18H2,1-4H3