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

Systemtic Name: N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-chloro-4-(4-propionylpiperazino)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H28ClN5O4 MolecularWeight: 485.96322

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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)N4CCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H28ClN5O4/c1-2-23(31)29-13-11-28(12-14-29)20-8-6-18(16-19(20)25)26-24(32)17-5-7-21(22(15-17)30(33)34)27-9-3-4-10-27/h5-8,15-16H,2-4,9-14H2,1H3,(H,26,32)