N-(3-imidazol-1-ylpropyl)-3-[3-[(3-methoxyphenyl)amino]-1H-1,2,4-triazol-5-yl]pyridin-2-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-[3-[(3-methoxyphenyl)amino]-1H-1,2,4-triazol-5-yl]pyridin-2-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-3-[3-(3-methoxyanilino)-1H-1,2,4-triazol-5-yl]pyridin-2-amine CAS Name: N-[3-(1-imidazolyl)propyl]-3-[3-(3-methoxyanilino)-1H-1,2,4-triazol-5-yl]-2-pyridinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-[3-(3-methoxyanilino)-1H-1,2,4-triazol-5-yl]pyridin-2-amine Traditional Name: 3-imidazol-1-ylpropyl-[3-[3-(m-anisidino)-1H-1,2,4-triazol-5-yl]-2-pyridyl]amine Formula: C20H22N8O MolecularWeight: 390.44168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NNC(=N2)C3=C(N=CC=C3)NCCCN4C=CN=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NNC(=N2)C3=C(N=CC=C3)NCCCN4C=CN=C4

InChI

InChI=1S/C20H22N8O/c1-29-16-6-2-5-15(13-16)24-20-25-19(26-27-20)17-7-3-8-22-18(17)23-9-4-11-28-12-10-21-14-28/h2-3,5-8,10,12-14H,4,9,11H2,1H3,(H,22,23)(H2,24,25,26,27)