3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-1-yl)-3-(1-methylindol-3-yl)propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-1-yl)-3-(1-methylindol-3-yl)propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-1-yl)-3-(1-methylindol-3-yl)propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(4-ethyl-1-piperazinyl)-3-(1-methyl-3-indolyl)-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-1-yl)-3-(1-methylindol-3-yl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazino)-3-(1-methylindol-3-yl)propan-1-one Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C25H29N3O3/c1-3-27-10-12-28(13-11-27)25(29)15-20(18-8-9-23-24(14-18)31-17-30-23)21-16-26(2)22-7-5-4-6-19(21)22/h4-9,14,16,20H,3,10-13,15,17H2,1-2H3