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

Systemtic Name: 1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-4-phenyl-1,4-diazepane Openeye Name: 1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-4-phenyl-1,4-diazepane CAS Name: 1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-4-phenyl-1,4-diazepane IUPAC Name: 1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-4-phenyl-1,4-diazepane Traditional Name: 1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-4-phenyl-1,4-diazepane Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=NC(=N2)N3CCCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=NC(=N2)N3CCCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O/c1-27-19-10-8-17(9-11-19)20-16-22-24-21(23-20)26-13-5-12-25(14-15-26)18-6-3-2-4-7-18/h2-4,6-11,16H,5,12-15H2,1H3