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

Systemtic Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone Openeye Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone CAS Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-[3-(1-pyrrolyl)phenyl]methanone IUPAC Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone Traditional Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-(3-pyrrol-1-ylphenyl)methanone Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)N3C=CC=C3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=CC=C2)N3C=CC=C3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H24N2O3/c27-24(19-6-3-7-20(16-19)25-11-1-2-12-25)26-13-4-8-21(26)18-9-10-22-23(17-18)29-15-5-14-28-22/h1-3,6-7,9-12,16-17,21H,4-5,8,13-15H2/t21-/m0/s1