(4-cycloheptylpiperazin-1-yl)-(4-nitrophenyl)methanone; ethanedioic acid

Systemtic Name: (4-cycloheptylpiperazin-1-yl)-(4-nitrophenyl)methanone; ethanedioic acid Openeye Name: (4-cycloheptylpiperazin-1-yl)-(4-nitrophenyl)methanone; oxalic acid CAS Name: (4-cycloheptyl-1-piperazinyl)-(4-nitrophenyl)methanone; oxalic acid IUPAC Name: (4-cycloheptylpiperazin-1-yl)-(4-nitrophenyl)methanone; oxalic acid Traditional Name: (4-cycloheptylpiperazino)-(4-nitrophenyl)methanone; oxalic acid Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25N3O3.C2H2O4/c22-18(15-7-9-17(10-8-15)21(23)24)20-13-11-19(12-14-20)16-5-3-1-2-4-6-16;3-1(4)2(5)6/h7-10,16H,1-6,11-14H2;(H,3,4)(H,5,6)