2-[1-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[1-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one Openeye Name: 2-[1-[4-(2-chloro-4-nitro-benzoyl)piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one CAS Name: 2-[1-[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[1-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one Traditional Name: 2-[1-[4-(2-chloro-4-nitro-benzoyl)piperazino]ethyl]-3-o-phenetyl-quinazolin-4-one Formula: C29H28ClN5O5 MolecularWeight: 562.01612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C29H28ClN5O5/c1-3-40-26-11-7-6-10-25(26)34-27(31-24-9-5-4-8-22(24)29(34)37)19(2)32-14-16-33(17-15-32)28(36)21-13-12-20(35(38)39)18-23(21)30/h4-13,18-19H,3,14-17H2,1-2H3