2-(benzotriazol-1-yl)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]ethanone Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2C3=CC=CC=C3N=N2)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CN2C3=CC=CC=C3N=N2)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C21H22N4O3/c26-21(14-25-18-6-2-1-5-16(18)22-23-25)24-10-3-7-17(24)15-8-9-19-20(13-15)28-12-4-11-27-19/h1-2,5-6,8-9,13,17H,3-4,7,10-12,14H2/t17-/m1/s1