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

Systemtic Name: (2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (2S)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (2S)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4OC

InChI

InChI=1S/C23H27N3O2/c1-4-26-15-19(17(2)24-26)14-25-13-18-9-5-7-11-21(18)28-23(16-25)20-10-6-8-12-22(20)27-3/h5-12,15,23H,4,13-14,16H2,1-3H3/t23-/m1/s1