2-diphenylphosphoryl-3-pyrrolidin-1-yl-but-2-enenitrile

Systemtic Name: 2-diphenylphosphoryl-3-pyrrolidin-1-yl-but-2-enenitrile Openeye Name: 2-diphenylphosphoryl-3-pyrrolidin-1-yl-but-2-enenitrile CAS Name: 2-diphenylphosphoryl-3-(1-pyrrolidinyl)-2-butenenitrile IUPAC Name: 2-diphenylphosphoryl-3-pyrrolidin-1-ylbut-2-enenitrile Traditional Name: 2-diphenylphosphoryl-3-pyrrolidino-but-2-enenitrile Formula: C20H21N2OP MolecularWeight: 336.367301

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CC(=C(C#N)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C20H21N2OP/c1-17(22-14-8-9-15-22)20(16-21)24(23,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13H,8-9,14-15H2,1H3