[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

Systemtic Name: [(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone Openeye Name: (5-isopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: [(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone IUPAC Name: [(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone Traditional Name: (5-isopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1)C(=O)N2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC(=NN1)C(=O)N2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c1-15(2)18-12-19(24-23-18)22(26)25-13-17-10-6-7-11-20(17)27-21(14-25)16-8-4-3-5-9-16/h3-12,15,21H,13-14H2,1-2H3,(H,23,24)/t21-/m1/s1