(2S)-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: (2S)-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (2S)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (2S)-4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (2S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (2S)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C21H22ClN3O/c1-15-18(21(22)24(2)23-15)13-25-12-17-10-6-7-11-19(17)26-20(14-25)16-8-4-3-5-9-16/h3-11,20H,12-14H2,1-2H3/t20-/m1/s1