2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-chloranyl-4-cyano-phenyl)propanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-chloranyl-4-cyano-phenyl)propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-chloro-4-cyano-phenyl)propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3-chloro-4-cyanophenyl)propanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(4-piperonylpiperazino)propionamide Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23ClN4O3/c1-15(22(28)25-18-4-3-17(12-24)19(23)11-18)27-8-6-26(7-9-27)13-16-2-5-20-21(10-16)30-14-29-20/h2-5,10-11,15H,6-9,13-14H2,1H3,(H,25,28)