N-(1-cyanocycloheptyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O3/c21-16-20(9-3-1-2-4-10-20)22-19(26)15-23-11-13-24(14-12-23)17-5-7-18(8-6-17)25(27)28/h5-8H,1-4,9-15H2,(H,22,26)