N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]piperazin-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1-piperazinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide Traditional Name: 2-[4-[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]piperazino]-N-piperonyl-propionamide Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C(C)C(=O)NC4CC4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C(C)C(=O)NC4CC4

InChI

InChI=1S/C21H30N4O4/c1-14(20(26)22-12-16-3-6-18-19(11-16)29-13-28-18)24-7-9-25(10-8-24)15(2)21(27)23-17-4-5-17/h3,6,11,14-15,17H,4-5,7-10,12-13H2,1-2H3,(H,22,26)(H,23,27)