(2S)-7-chloranyl-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: (2S)-7-chloranyl-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (2S)-7-chloro-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (2S)-7-chloro-4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (2S)-7-chloro-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (2S)-7-chloro-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C18H24ClN3O MolecularWeight: 333.85566

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN2CC(OC3=C(C2)C=C(C=C3)Cl)C)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN2C[C@@H](OC3=C(C2)C=C(C=C3)Cl)C)C

InChI

InChI=1S/C18H24ClN3O/c1-5-22-14(4)17(13(3)20-22)11-21-9-12(2)23-18-7-6-16(19)8-15(18)10-21/h6-8,12H,5,9-11H2,1-4H3/t12-/m0/s1