N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(4-isobutyrylpiperazino)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O4/c1-18(2)25(32)29-15-13-28(14-16-29)21-8-4-3-7-20(21)26-24(31)19-9-10-22(23(17-19)30(33)34)27-11-5-6-12-27/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,26,31)