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

Systemtic Name: 1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-4-phenyl-1,4-diazepane Openeye Name: 1-[5-(o-tolyl)-1,2,4-triazin-3-yl]-4-phenyl-1,4-diazepane CAS Name: 1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-4-phenyl-1,4-diazepane IUPAC Name: 1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-4-phenyl-1,4-diazepane Traditional Name: 1-[5-(o-tolyl)-1,2,4-triazin-3-yl]-4-phenyl-1,4-diazepane Formula: C21H23N5 MolecularWeight: 345.44082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=NC(=N2)N3CCCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=CN=NC(=N2)N3CCCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5/c1-17-8-5-6-11-19(17)20-16-22-24-21(23-20)26-13-7-12-25(14-15-26)18-9-3-2-4-10-18/h2-6,8-11,16H,7,12-15H2,1H3