(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-piperonylpiperazino)propionamide Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O4/c1-16-4-6-20(28-3)19(12-16)24-23(27)17(2)26-10-8-25(9-11-26)14-18-5-7-21-22(13-18)30-15-29-21/h4-7,12-13,17H,8-11,14-15H2,1-3H3,(H,24,27)/t17-/m0/s1