[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

Systemtic Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Openeye Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone CAS Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-(3-phenyl-1H-pyrazol-5-yl)methanone IUPAC Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Traditional Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-(3-phenyl-1H-pyrazol-5-yl)methanone Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=NN2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=NN2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H23N3O3/c27-23(19-15-18(24-25-19)16-6-2-1-3-7-16)26-11-4-8-20(26)17-9-10-21-22(14-17)29-13-5-12-28-21/h1-3,6-7,9-10,14-15,20H,4-5,8,11-13H2,(H,24,25)/t20-/m0/s1