N-[1-[4-(cyclopropylcarbonylamino)phenyl]ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[1-[4-(cyclopropylcarbonylamino)phenyl]ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[1-[4-[[cyclopropyl(oxo)methyl]amino]phenyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-nitro-benzamide Formula: C25H29N5O5 MolecularWeight: 479.52826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O5/c1-16(18-5-8-21(9-6-18)27-24(32)19-3-4-19)26-25(33)20-7-10-22(23(15-20)30(34)35)29-13-11-28(12-14-29)17(2)31/h5-10,15-16,19H,3-4,11-14H2,1-2H3,(H,26,33)(H,27,32)