3-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylbenzamide

Systemtic Name: 3-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylbenzamide Openeye Name: 3-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1-carbonyl]benzamide CAS Name: 3-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinyl]-oxomethyl]benzamide IUPAC Name: 3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide Traditional Name: 3-[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazine-1-carbonyl]benzamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)N

InChI

InChI=1S/C22H26N4O3/c1-15-5-3-6-16(2)20(15)24-19(27)14-25-9-11-26(12-10-25)22(29)18-8-4-7-17(13-18)21(23)28/h3-8,13H,9-12,14H2,1-2H3,(H2,23,28)(H,24,27)