5-[3-[2-cyanoethyl-[2-(2-isocyanophenoxy)ethyl]amino]pyrrolidin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[3-[2-cyanoethyl-[2-(2-isocyanophenoxy)ethyl]amino]pyrrolidin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[3-[2-cyanoethyl-[2-(2-isocyanophenoxy)ethyl]amino]pyrrolidin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[3-[2-cyanoethyl-[2-(2-isocyanophenoxy)ethyl]amino]-1-pyrrolidinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[3-[2-cyanoethyl-[2-(2-isocyanophenoxy)ethyl]amino]pyrrolidin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[3-[2-cyanoethyl-[2-(2-isocyanophenoxy)ethyl]amino]pyrrolidino]-2-isopropyl-2-phenyl-valeronitrile Formula: C30H37N5O MolecularWeight: 483.64768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(C1)N(CCC#N)CCOC2=CC=CC=C2[N+]#[C-])(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCC(C1)N(CCC#N)CCOC2=CC=CC=C2[N+]#[C-])(C#N)C3=CC=CC=C3

InChI

InChI=1S/C30H37N5O/c1-25(2)30(24-32,26-11-5-4-6-12-26)16-9-18-34-20-15-27(23-34)35(19-10-17-31)21-22-36-29-14-8-7-13-28(29)33-3/h4-8,11-14,25,27H,9-10,15-16,18-23H2,1-2H3