N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-3-nitro-benzamide Formula: C25H30ClN5O4 MolecularWeight: 499.9898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3Cl)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3Cl)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H30ClN5O4/c1-18(32)28-12-14-30(15-13-28)22-9-8-19(16-23(22)31(34)35)25(33)27-17-24(29-10-4-5-11-29)20-6-2-3-7-21(20)26/h2-3,6-9,16,24H,4-5,10-15,17H2,1H3,(H,27,33)