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

Systemtic Name: 2-chloranyl-N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-(3-methylbutyl)-4-nitro-benzamide Openeye Name: 2-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-isopentyl-4-nitro-benzamide CAS Name: 2-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]-N-(3-methylbutyl)-4-nitrobenzamide IUPAC Name: 2-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-4-nitrobenzamide Traditional Name: 2-chloro-N-isoamyl-N-[1-(4-keto-3-p-phenetyl-quinazolin-2-yl)ethyl]-4-nitro-benzamide Formula: C30H31ClN4O5 MolecularWeight: 563.04394

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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=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H31ClN4O5/c1-5-40-23-13-10-21(11-14-23)34-28(32-27-9-7-6-8-25(27)30(34)37)20(4)33(17-16-19(2)3)29(36)24-15-12-22(35(38)39)18-26(24)31/h6-15,18-20H,5,16-17H2,1-4H3