[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H24N4O3/c1-25(14-17-13-23-26(15-17)19-6-3-2-4-7-19)16-22(27)24-18-8-9-20-21(12-18)29-11-5-10-28-20/h2-4,6-9,12-13,15H,5,10-11,14,16H2,1H3,(H,24,27)/p+1