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

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-pyrrolidino-methanone Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCCC4

InChI

InChI=1S/C18H21N3O3/c1-20-12-14(18(22)21-7-2-3-8-21)17(19-20)13-5-6-15-16(11-13)24-10-4-9-23-15/h5-6,11-12H,2-4,7-10H2,1H3