N-[3-[[(4-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]-4-nitro-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-nitro-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-nitro-benzamide Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCC(CC4)N

Isomeric SMILES

C1CC1C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCC(CC4)N

InChI

InChI=1S/C24H28N4O4/c25-19-8-12-21(13-9-19)27(24(30)18-4-5-18)15-16-2-1-3-20(14-16)26-23(29)17-6-10-22(11-7-17)28(31)32/h1-3,6-7,10-11,14,18-19,21H,4-5,8-9,12-13,15,25H2,(H,26,29)