4-chloranyl-N-[3-(diethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-(diethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-(diethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[diethylamino(oxo)methyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-(diethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(diethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]-3-nitro-benzamide Formula: C29H32ClN5O5 MolecularWeight: 566.04788

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C29H32ClN5O5/c1-4-32(5-2)29(37)22-19-21(31-28(36)20-10-12-23(30)26(18-20)35(38)39)11-13-24(22)33-14-16-34(17-15-33)25-8-6-7-9-27(25)40-3/h6-13,18-19H,4-5,14-17H2,1-3H3,(H,31,36)