N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethyl-benzamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3,4-dimethylbenzamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]-3,4-dimethyl-benzamide Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C)C

InChI

InChI=1S/C23H29N3O3/c1-16-4-5-19(12-17(16)2)23(27)24-14-20(26-10-8-25(3)9-11-26)18-6-7-21-22(13-18)29-15-28-21/h4-7,12-13,20H,8-11,14-15H2,1-3H3,(H,24,27)/t20-/m1/s1