1-[4-[[4-(4-pyrazol-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[4-(4-pyrazol-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[4-(4-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[4-(4-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[[4-(4-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazino]ethanone Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C26H29N5O3/c1-20(32)29-13-11-28(12-14-29)18-21-3-8-25-23(17-21)19-30(15-16-34-25)26(33)22-4-6-24(7-5-22)31-10-2-9-27-31/h2-10,17H,11-16,18-19H2,1H3