N-[2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-phenyl-amino]ethyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-phenyl-amino]ethyl]pyrrolidine-1-carboxamide Openeye Name: N-[2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)anilino)ethyl]pyrrolidine-1-carboxamide CAS Name: N-[2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)anilino)ethyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)anilino)ethyl]pyrrolidine-1-carboxamide Traditional Name: N-[2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)anilino)ethyl]pyrrolidine-1-carboxamide Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CCNC(=O)N3CCCC3)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CCNC(=O)N3CCCC3)C4=CC=CC=C4)O)C

InChI

InChI=1S/C25H30N4O3/c1-25(2)23(30)22(20-16-18(17-26)10-11-21(20)32-25)29(19-8-4-3-5-9-19)15-12-27-24(31)28-13-6-7-14-28/h3-5,8-11,16,22-23,30H,6-7,12-15H2,1-2H3,(H,27,31)