N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-4-(2-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-4-(2-nitrophenyl)piperazine-1-carboxamide Formula: C22H25N5O4 MolecularWeight: 423.465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4/c28-21(17-8-9-17)24-18-5-3-4-16(14-18)15-23-22(29)26-12-10-25(11-13-26)19-6-1-2-7-20(19)27(30)31/h1-7,14,17H,8-13,15H2,(H,23,29)(H,24,28)