(2R)-2-(1,3-benzodioxol-5-ylamino)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-ylamino)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: (2R)-2-(1,3-benzodioxol-5-ylamino)-1-(4-benzylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-(1,3-benzodioxol-5-ylamino)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(1,3-benzodioxol-5-ylamino)-1-(4-benzylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-(1,3-benzodioxol-5-ylamino)-1-(4-benzylpiperazino)propan-1-one Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3/c1-16(22-18-7-8-19-20(13-18)27-15-26-19)21(25)24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13,16,22H,9-12,14-15H2,1H3/t16-/m1/s1