1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone CAS Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-(4-phenylpiperazino)ethanone Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H29N3O3/c28-24(18-25-11-13-26(14-12-25)20-5-2-1-3-6-20)27-10-4-7-21(27)19-8-9-22-23(17-19)30-16-15-29-22/h1-3,5-6,8-9,17,21H,4,7,10-16,18H2/t21-/m0/s1