7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(o-tolyl)-4-(1H-pyrrol-2-ylmethyl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(2-methylphenyl)-9-[[(3S)-3-oxolanyl]oxy]-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(o-tolyl)-4-(1H-pyrrol-2-ylmethyl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC4CCOC4)OCCN(C3)CC5=CC=CN5

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)O[C@H]4CCOC4)OCCN(C3)CC5=CC=CN5

InChI

InChI=1S/C25H28N2O3/c1-18-5-2-3-7-23(18)19-13-20-15-27(16-21-6-4-9-26-21)10-12-29-25(20)24(14-19)30-22-8-11-28-17-22/h2-7,9,13-14,22,26H,8,10-12,15-17H2,1H3/t22-/m0/s1