1-(1-phenylethyl)-4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-2-one

Systemtic Name: 1-(1-phenylethyl)-4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-2-one Openeye Name: 1-(1-phenylethyl)-4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-2-one CAS Name: 1-(1-phenylethyl)-4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]-2-piperazinone IUPAC Name: 1-(1-phenylethyl)-4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-2-one Traditional Name: 1-(1-phenylethyl)-4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-2-one Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2=O)CCCC3=CNC4=C3C=C(C=C4)N5C=NN=C5

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2=O)CCCC3=CNC4=C3C=C(C=C4)N5C=NN=C5

InChI

InChI=1S/C25H28N6O/c1-19(20-6-3-2-4-7-20)31-13-12-29(16-25(31)32)11-5-8-21-15-26-24-10-9-22(14-23(21)24)30-17-27-28-18-30/h2-4,6-7,9-10,14-15,17-19,26H,5,8,11-13,16H2,1H3