1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]-4-(2-methylphenyl)-1,4-diazepane

Systemtic Name: 1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]-4-(2-methylphenyl)-1,4-diazepane Openeye Name: 1-[5-(5-methyl-2-furyl)-1,2,4-triazin-3-yl]-4-(o-tolyl)-1,4-diazepane CAS Name: 1-[5-(5-methyl-2-furanyl)-1,2,4-triazin-3-yl]-4-(2-methylphenyl)-1,4-diazepane IUPAC Name: 1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]-4-(2-methylphenyl)-1,4-diazepane Traditional Name: 1-[5-(5-methyl-2-furyl)-1,2,4-triazin-3-yl]-4-(o-tolyl)-1,4-diazepane Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCCN(CC2)C3=NC(=CN=N3)C4=CC=C(O4)C

Isomeric SMILES

CC1=CC=CC=C1N2CCCN(CC2)C3=NC(=CN=N3)C4=CC=C(O4)C

InChI

InChI=1S/C20H23N5O/c1-15-6-3-4-7-18(15)24-10-5-11-25(13-12-24)20-22-17(14-21-23-20)19-9-8-16(2)26-19/h3-4,6-9,14H,5,10-13H2,1-2H3