2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O4/c1-23(12-16-14-27-19-6-2-3-7-20(19)28-16)13-18(25)15-10-17(22-11-15)21(26)24-8-4-5-9-24/h2-3,6-7,10-11,16,22H,4-5,8-9,12-14H2,1H3/t16-/m0/s1