5-azanyl-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]pyrazole-4-carbonitrile Formula: C38H38N4O5 MolecularWeight: 630.73212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)N3C(=C(C=N3)C#N)N)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C(C(C(O2)N3C(=C(C=N3)C#N)N)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C38H38N4O5/c39-21-32-22-41-42(37(32)40)38-36(46-26-31-19-11-4-12-20-31)35(45-25-30-17-9-3-10-18-30)34(44-24-29-15-7-2-8-16-29)33(47-38)27-43-23-28-13-5-1-6-14-28/h1-20,22,33-36,38H,23-27,40H2