5-nitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-nitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-nitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-yl-benzamide CAS Name: 5-nitro-N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-nitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-nitro-N-[4-(4-propionylpiperazino)phenyl]-2-pyrrolidino-benzamide Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O4/c1-2-23(30)28-15-13-26(14-16-28)19-7-5-18(6-8-19)25-24(31)21-17-20(29(32)33)9-10-22(21)27-11-3-4-12-27/h5-10,17H,2-4,11-16H2,1H3,(H,25,31)