4-[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: 4-[4-[2-(2-chloroanilino)-2-oxo-ethyl]piperazin-1-yl]-N-isopropyl-3-nitro-benzamide CAS Name: 4-[4-[2-(2-chloroanilino)-2-oxoethyl]-1-piperazinyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: 4-[4-[2-(2-chloroanilino)-2-keto-ethyl]piperazino]-N-isopropyl-3-nitro-benzamide Formula: C22H26ClN5O4 MolecularWeight: 459.92594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H26ClN5O4/c1-15(2)24-22(30)16-7-8-19(20(13-16)28(31)32)27-11-9-26(10-12-27)14-21(29)25-18-6-4-3-5-17(18)23/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,30)(H,25,29)