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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(4-benzylpiperazin-1-yl)-3-(1-ethylindol-3-yl)propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(1-ethyl-3-indolyl)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(4-benzylpiperazin-1-yl)-3-(1-ethylindol-3-yl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-benzylpiperazino)-3-(1-ethylindol-3-yl)propan-1-one Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H33N3O3/c1-2-33-21-27(25-10-6-7-11-28(25)33)26(24-12-13-29-30(18-24)37-22-36-29)19-31(35)34-16-14-32(15-17-34)20-23-8-4-3-5-9-23/h3-13,18,21,26H,2,14-17,19-20,22H2,1H3