1-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol

Systemtic Name: 1-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol Openeye Name: 1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol CAS Name: 1-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenylethanol IUPAC Name: 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenylethanol Traditional Name: 1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol Formula: C23H26ClN3O2 MolecularWeight: 411.92444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCOC3=C(C2)C=C(C=C3)C(CC4=CC=CC=C4)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCOC3=C(C2)C=C(C=C3)C(CC4=CC=CC=C4)O)Cl)C

InChI

InChI=1S/C23H26ClN3O2/c1-16-20(23(24)26(2)25-16)15-27-10-11-29-22-9-8-18(13-19(22)14-27)21(28)12-17-6-4-3-5-7-17/h3-9,13,21,28H,10-12,14-15H2,1-2H3