3-(1-methylindol-3-yl)-4-[1-(piperidin-4-ylmethyl)indol-3-yl]-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(1-methylindol-3-yl)-4-[1-(piperidin-4-ylmethyl)indol-3-yl]-1H-1,2,4-triazol-5-one Openeye Name: 3-(1-methylindol-3-yl)-4-[1-(4-piperidylmethyl)indol-3-yl]-1H-1,2,4-triazol-5-one CAS Name: 3-(1-methyl-3-indolyl)-4-[1-(4-piperidinylmethyl)-3-indolyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-(1-methylindol-3-yl)-4-[1-(piperidin-4-ylmethyl)indol-3-yl]-1H-1,2,4-triazol-5-one Traditional Name: 3-(1-methylindol-3-yl)-4-[1-(4-piperidylmethyl)indol-3-yl]-1H-1,2,4-triazol-5-one Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=NNC(=O)N3C4=CN(C5=CC=CC=C54)CC6CCNCC6

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NNC(=O)N3C4=CN(C5=CC=CC=C54)CC6CCNCC6

InChI

InChI=1S/C25H26N6O/c1-29-15-20(18-6-2-4-8-21(18)29)24-27-28-25(32)31(24)23-16-30(14-17-10-12-26-13-11-17)22-9-5-3-7-19(22)23/h2-9,15-17,26H,10-14H2,1H3,(H,28,32)