1-(4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-yl)azepane

Systemtic Name: 1-(4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-yl)azepane Openeye Name: 1-(4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-yl)azepane CAS Name: 1-[4-(1-imidazolyl)-6-phenyl-1,3,5-triazin-2-yl]azepane IUPAC Name: 1-(4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-yl)azepane Traditional Name: 1-(4-imidazol-1-yl-6-phenyl-s-triazin-2-yl)azepane Formula: C18H20N6 MolecularWeight: 320.3916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC(=N2)N3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC(=N2)N3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H20N6/c1-2-7-12-23(11-6-1)17-20-16(15-8-4-3-5-9-15)21-18(22-17)24-13-10-19-14-24/h3-5,8-10,13-14H,1-2,6-7,11-12H2