N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[3-chloro-4-(4-propionylpiperazino)phenyl]-3-nitro-4-piperidino-benzamide Formula: C25H30ClN5O4 MolecularWeight: 499.9898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H30ClN5O4/c1-2-24(32)30-14-12-29(13-15-30)21-9-7-19(17-20(21)26)27-25(33)18-6-8-22(23(16-18)31(34)35)28-10-4-3-5-11-28/h6-9,16-17H,2-5,10-15H2,1H3,(H,27,33)