N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazino]-3-nitro-benzamide Formula: C21H29N5O4 MolecularWeight: 415.48606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O4/c22-16-4-6-17(7-5-16)23-20(27)15-3-8-18(19(13-15)26(29)30)24-9-11-25(12-10-24)21(28)14-1-2-14/h3,8,13-14,16-17H,1-2,4-7,9-12,22H2,(H,23,27)