N-(1,3-benzodioxol-5-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(o-tolylmethyl)piperazin-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2-methylbenzyl)piperazino]propionamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O3/c1-16-5-3-4-6-18(16)14-24-9-11-25(12-10-24)17(2)22(26)23-19-7-8-20-21(13-19)28-15-27-20/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,23,26)