2-(1-phenylpyrazol-4-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone

Systemtic Name: 2-(1-phenylpyrazol-4-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone Openeye Name: 2-(1-phenylpyrazol-4-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone CAS Name: 2-(1-phenyl-4-pyrazolyl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone IUPAC Name: 2-(1-phenylpyrazol-4-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone Traditional Name: 2-(1-phenylpyrazol-4-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=CC=CC=C2C1)C(=O)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C2=CC=CC=C2C1)C(=O)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O/c25-21(23-13-7-6-9-18-8-4-5-12-20(18)23)14-17-15-22-24(16-17)19-10-2-1-3-11-19/h1-5,8,10-12,15-16H,6-7,9,13-14H2