2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O4/c1-17-6-7-18(14-19(17)26(29)30)22-20(27)15-23-10-12-24(13-11-23)16-21(28)25-8-4-2-3-5-9-25/h6-7,14H,2-5,8-13,15-16H2,1H3,(H,22,27)