1-(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-(4-imidazol-1-yl-6-morpholino-1,3,5-triazin-2-yl)-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[4-(1-imidazolyl)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(4-imidazol-1-yl-6-morpholino-s-triazin-2-yl)-4-phenyl-isonipecotonitrile Formula: C22H24N8O MolecularWeight: 416.47896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=NC(=NC(=N3)N4C=CN=C4)N5CCOCC5

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=NC(=NC(=N3)N4C=CN=C4)N5CCOCC5

InChI

InChI=1S/C22H24N8O/c23-16-22(18-4-2-1-3-5-18)6-9-28(10-7-22)19-25-20(29-12-14-31-15-13-29)27-21(26-19)30-11-8-24-17-30/h1-5,8,11,17H,6-7,9-10,12-15H2