2-[1-[4-(4-chloranyl-3-nitro-phenyl)carbonyl-3-methyl-piperazin-1-yl]ethyl]-3-(2-methoxyphenyl)quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C)C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5OC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C)C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5OC

InChI

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