4-[[[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]amino]-oxidanyl-phenyl-methyl]-3-oxidanyl-benzenecarbonitrile

Systemtic Name: 4-[[[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]amino]-oxidanyl-phenyl-methyl]-3-oxidanyl-benzenecarbonitrile Openeye Name: 3-hydroxy-4-[hydroxy-[[(1R)-2-(1H-imidazol-5-yl)-1-methyl-ethyl]amino]-phenyl-methyl]benzonitrile CAS Name: 3-hydroxy-4-[hydroxy-[[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]amino]-phenylmethyl]benzonitrile IUPAC Name: 3-hydroxy-4-[hydroxy-[[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]amino]-phenylmethyl]benzonitrile Traditional Name: 3-hydroxy-4-[hydroxy-[[(1R)-2-(1H-imidazol-5-yl)-1-methyl-ethyl]amino]-phenyl-methyl]benzonitrile Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=CN1)NC(C2=CC=CC=C2)(C3=C(C=C(C=C3)C#N)O)O

Isomeric SMILES

C[C@H](CC1=CN=CN1)NC(C2=CC=CC=C2)(C3=C(C=C(C=C3)C#N)O)O

InChI

InChI=1S/C20H20N4O2/c1-14(9-17-12-22-13-23-17)24-20(26,16-5-3-2-4-6-16)18-8-7-15(11-21)10-19(18)25/h2-8,10,12-14,24-26H,9H2,1H3,(H,22,23)/t14-,20?/m1/s1