N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[4-(4-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-nitrophenyl)piperazino]propionamide Formula: C22H27N5O4 MolecularWeight: 425.48088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H27N5O4/c1-15-4-9-20(16(2)14-15)23-22(29)24-21(28)17(3)25-10-12-26(13-11-25)18-5-7-19(8-6-18)27(30)31/h4-9,14,17H,10-13H2,1-3H3,(H2,23,24,28,29)