1-[5-(1H-indol-5-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[5-(1H-indol-5-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[5-(1H-indol-5-ylmethylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[5-(1H-indol-5-ylmethylamino)-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[5-(1H-indol-5-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[5-(1H-indol-5-ylmethylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC4=C(C=C3)NC=C4

Isomeric SMILES

CC(C)CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C21H22N6O/c1-14(2)10-19(28)27-21(25-20(26-27)17-4-3-8-22-13-17)24-12-15-5-6-18-16(11-15)7-9-23-18/h3-9,11,13-14,23H,10,12H2,1-2H3,(H,24,25,26)