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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H23N3O3/c27-23(17-5-8-19(9-6-17)26-13-2-11-24-26)25-12-1-4-20(25)18-7-10-21-22(16-18)29-15-3-14-28-21/h2,5-11,13,16,20H,1,3-4,12,14-15H2/t20-/m1/s1