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

Systemtic Name: 4-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]methyl]-3-nitro-benzamide Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O4/c21-20(27)16-5-6-17(18(13-16)25(28)29)14-22-9-11-23(12-10-22)15-19(26)24-7-3-1-2-4-8-24/h5-6,13H,1-4,7-12,14-15H2,(H2,21,27)