4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloranyl-2-methyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloranyl-2-methyl-phenyl)piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-methyl-phenyl)piperazine-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-methylphenyl)piperazine-1-carboxamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-piperonyl-piperazine-1-carboxamide Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22ClN3O3/c1-14-2-4-16(21)11-17(14)22-20(25)24-8-6-23(7-9-24)12-15-3-5-18-19(10-15)27-13-26-18/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,25)