(E)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-quinolin-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-quinolin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(2-quinolyl)prop-2-en-1-one CAS Name: (E)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-(2-quinolinyl)-2-propen-1-one IUPAC Name: (E)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one Traditional Name: (E)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-(2-quinolyl)prop-2-en-1-one Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=NC3=CC=CC=C3C=C2)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)/C=C/C2=NC3=CC=CC=C3C=C2)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C25H24N2O3/c28-25(13-11-20-10-8-18-5-1-2-6-21(18)26-20)27-14-3-7-22(27)19-9-12-23-24(17-19)30-16-4-15-29-23/h1-2,5-6,8-13,17,22H,3-4,7,14-16H2/b13-11+/t22-/m0/s1