4-methyl-N-[3-(2-methylpropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[3-(2-methylpropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide Openeye Name: N-[3-(isobutylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-N-[3-[(2-methylpropylamino)-oxomethyl]-4-(1-pyrrolidinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[3-(2-methylpropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]-3-nitrobenzamide Traditional Name: N-[3-(isobutylcarbamoyl)-4-pyrrolidino-phenyl]-4-methyl-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-15(2)14-24-23(29)19-13-18(8-9-20(19)26-10-4-5-11-26)25-22(28)17-7-6-16(3)21(12-17)27(30)31/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H,24,29)(H,25,28)