1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]methyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]methyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea Traditional Name: 1-[2-[(2-ketopyrrolidino)methyl]benzyl]-3-piperonyl-urea Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=CC=C2CNC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=CC=C2CNC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O4/c25-20-6-3-9-24(20)13-17-5-2-1-4-16(17)12-23-21(26)22-11-15-7-8-18-19(10-15)28-14-27-18/h1-2,4-5,7-8,10H,3,6,9,11-14H2,(H2,22,23,26)