3-[2-(5-methyl-1H-indol-3-yl)ethylamino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[2-(5-methyl-1H-indol-3-yl)ethylamino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]-2H-1,2,4-triazin-5-one CAS Name: 3-[2-(5-methyl-1H-indol-3-yl)ethylamino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]-2H-1,2,4-triazin-5-one Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CCNC3=NC(=O)C(=NN3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2CCNC3=NC(=O)C(=NN3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O/c1-14-7-8-18-17(11-14)16(13-23-18)9-10-22-21-24-20(27)19(25-26-21)12-15-5-3-2-4-6-15/h2-8,11,13,23H,9-10,12H2,1H3,(H2,22,24,26,27)