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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: 5-nitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O4/c1-2-5-24(31)29-16-14-27(15-17-29)20-8-6-19(7-9-20)26-25(32)22-18-21(30(33)34)10-11-23(22)28-12-3-4-13-28/h6-11,18H,2-5,12-17H2,1H3,(H,26,32)