(2S)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: (2S)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (2S)-2-(2-methoxyphenyl)-4-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (2S)-2-(2-methoxyphenyl)-4-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (2S)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (2S)-2-(2-methoxyphenyl)-4-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CN(CC3=CC=CC=C3O2)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1[C@H]2CN(CC3=CC=CC=C3O2)CC4=CN=CC=C4

InChI

InChI=1S/C22H22N2O2/c1-25-21-11-5-3-9-19(21)22-16-24(14-17-7-6-12-23-13-17)15-18-8-2-4-10-20(18)26-22/h2-13,22H,14-16H2,1H3/t22-/m1/s1