3H-benzimidazol-5-yl-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone

Systemtic Name: 3H-benzimidazol-5-yl-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone Openeye Name: 3H-benzimidazol-5-yl-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]methanone CAS Name: 3H-benzimidazol-5-yl-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]methanone IUPAC Name: 3H-benzimidazol-5-yl-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methanone Traditional Name: 3H-benzimidazol-5-yl-[(3S)-3-(4-piperonylpiperazino)piperidino]methanone Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=CN3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=C(C=C2)N=CN3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H29N5O3/c31-25(19-4-5-21-22(13-19)27-16-26-21)30-7-1-2-20(15-30)29-10-8-28(9-11-29)14-18-3-6-23-24(12-18)33-17-32-23/h3-6,12-13,16,20H,1-2,7-11,14-15,17H2,(H,26,27)/t20-/m0/s1