1-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea

Systemtic Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea Openeye Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea CAS Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]methyl]-3-(4-methoxyphenyl)urea IUPAC Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea Traditional Name: 1-(4-methoxyphenyl)-3-[(1-piperonylpyrrolidin-3-yl)methyl]urea Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCC2CCN(C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCC2CCN(C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O4/c1-26-18-5-3-17(4-6-18)23-21(25)22-11-16-8-9-24(13-16)12-15-2-7-19-20(10-15)28-14-27-19/h2-7,10,16H,8-9,11-14H2,1H3,(H2,22,23,25)