4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-7-(1H-inden-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-7-(1H-inden-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-7-(1H-inden-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-7-(1H-inden-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-(1H-inden-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-7-(1H-inden-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCOC3=C(C2)C=C(C=C3)C4=CC5=CC=CC=C5C4

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCOC3=C(C2)C=C(C=C3)C4=CC5=CC=CC=C5C4

InChI

InChI=1S/C25H27N3O/c1-3-28-17-24(18(2)26-28)16-27-10-11-29-25-9-8-21(14-23(25)15-27)22-12-19-6-4-5-7-20(19)13-22/h4-9,12,14,17H,3,10-11,13,15-16H2,1-2H3/p+1