2-cyano-N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylphenyl]ethanamide

Systemtic Name: 2-cyano-N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylphenyl]ethanamide Openeye Name: 2-cyano-N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]acetamide CAS Name: 2-cyano-N-[4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]acetamide IUPAC Name: 2-cyano-N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]acetamide Traditional Name: 2-cyano-N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]acetamide Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H23N3O4/c24-11-10-22(27)25-18-7-4-16(5-8-18)23(28)26-12-1-3-19(26)17-6-9-20-21(15-17)30-14-2-13-29-20/h4-9,15,19H,1-3,10,12-14H2,(H,25,27)