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

Systemtic Name: 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-4-(2-methylphenyl)-1,4-diazepane Openeye Name: 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-4-(o-tolyl)-1,4-diazepane CAS Name: 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-4-(2-methylphenyl)-1,4-diazepane IUPAC Name: 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-4-(2-methylphenyl)-1,4-diazepane Traditional Name: 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-4-(o-tolyl)-1,4-diazepane Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O/c1-17-7-3-4-10-21(17)26-11-6-12-27(14-13-26)22-24-20(16-23-25-22)18-8-5-9-19(15-18)28-2/h3-5,7-10,15-16H,6,11-14H2,1-2H3