N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[3-chloro-2-(4-propionylpiperazino)phenyl]-5-nitro-2-piperidino-benzamide Formula: C25H30ClN5O4 MolecularWeight: 499.9898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

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