N-(3-chloranyl-4-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carboxamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-14-6-7-15(12-16(14)22)23-21(27)25-10-8-24(9-11-25)20(26)19-13-28-17-4-2-3-5-18(17)29-19/h2-7,12,19H,8-11,13H2,1H3,(H,23,27)