5-[(E)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxidanylidene-prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(E)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxidanylidene-prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 5-[(E)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxo-prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 5-[(E)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 5-[(E)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-[(E)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-keto-prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)C=CC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)/C=C/C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H25N3O5/c1-23-14-16(21(27)24(2)22(23)28)7-9-20(26)25-10-3-5-17(25)15-6-8-18-19(13-15)30-12-4-11-29-18/h6-9,13-14,17H,3-5,10-12H2,1-2H3/b9-7+