methyl 3-[[3-(4-phenylpiperazin-1-yl)azetidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[3-(4-phenylpiperazin-1-yl)azetidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[3-(4-phenylpiperazin-1-yl)azetidine-1-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[3-(4-phenyl-1-piperazinyl)-1-azetidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(4-phenylpiperazin-1-yl)azetidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[3-(4-phenylpiperazino)azetidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CC(C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CC(C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3/c1-29-21(27)17-6-5-7-18(14-17)23-22(28)26-15-20(16-26)25-12-10-24(11-13-25)19-8-3-2-4-9-19/h2-9,14,20H,10-13,15-16H2,1H3,(H,23,28)