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

Systemtic Name: (2S)-2-(2-methoxyphenyl)-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (2S)-2-(2-methoxyphenyl)-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (2S)-2-(2-methoxyphenyl)-4-[(1-methyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (2S)-2-(2-methoxyphenyl)-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (2S)-2-(2-methoxyphenyl)-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4OC

Isomeric SMILES

CN1C=C(C=N1)CN2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4OC

InChI

InChI=1S/C21H23N3O2/c1-23-12-16(11-22-23)13-24-14-17-7-3-5-9-19(17)26-21(15-24)18-8-4-6-10-20(18)25-2/h3-12,21H,13-15H2,1-2H3/t21-/m1/s1