4-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one hydrochloride

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one hydrochloride Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one hydrochloride CAS Name: 4-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-butanone hydrochloride IUPAC Name: 4-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one hydrochloride Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-4-(1H-indol-3-yl)butan-1-one hydrochloride Formula: C25H30ClN3O MolecularWeight: 423.9782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)CCCC3=CNC4=CC=CC=C43.Cl

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)CCCC3=CNC4=CC=CC=C43.Cl

InChI

InChI=1S/C25H29N3O.ClH/c29-25(14-6-11-22-20-26-24-13-5-4-12-23(22)24)28-18-16-27(17-19-28)15-7-10-21-8-2-1-3-9-21;/h1-5,7-10,12-13,20,26H,6,11,14-19H2;1H/b10-7+;