7-chloranyl-N3-(6-methylpyridin-3-yl)-N6-(2-pyridin-4-ylethyl)-1,2-benzoxazole-3,6-diamine

Systemtic Name: 7-chloranyl-N3-(6-methylpyridin-3-yl)-N6-(2-pyridin-4-ylethyl)-1,2-benzoxazole-3,6-diamine Openeye Name: 7-chloro-N3-(6-methyl-3-pyridyl)-N6-[2-(4-pyridyl)ethyl]-1,2-benzoxazole-3,6-diamine CAS Name: 7-chloro-N3-(6-methyl-3-pyridinyl)-N6-(2-pyridin-4-ylethyl)-1,2-benzoxazole-3,6-diamine IUPAC Name: 7-chloro-3-N-(6-methylpyridin-3-yl)-6-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-3,6-diamine Traditional Name: [7-chloro-3-[(6-methyl-3-pyridyl)amino]indoxazen-6-yl]-[2-(4-pyridyl)ethyl]amine Formula: C20H18ClN5O MolecularWeight: 379.84282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC2=NOC3=C2C=CC(=C3Cl)NCCC4=CC=NC=C4

Isomeric SMILES

CC1=NC=C(C=C1)NC2=NOC3=C2C=CC(=C3Cl)NCCC4=CC=NC=C4

InChI

InChI=1S/C20H18ClN5O/c1-13-2-3-15(12-24-13)25-20-16-4-5-17(18(21)19(16)27-26-20)23-11-8-14-6-9-22-10-7-14/h2-7,9-10,12,23H,8,11H2,1H3,(H,25,26)