4-(1,3-benzodioxol-5-ylmethyl)-N-[(3R)-1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(3R)-1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(3R)-1-(4-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]piperazine-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(3R)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide Traditional Name: N-[(3R)-5-keto-1-(4-methoxyphenyl)pyrrolidin-3-yl]-4-piperonyl-piperazine-1-carboxamide Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C[C@@H](CC2=O)NC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28N4O5/c1-31-20-5-3-19(4-6-20)28-15-18(13-23(28)29)25-24(30)27-10-8-26(9-11-27)14-17-2-7-21-22(12-17)33-16-32-21/h2-7,12,18H,8-11,13-16H2,1H3,(H,25,30)/t18-/m1/s1