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

Systemtic Name: 4-(furan-3-ylmethyl)-7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(3-furylmethyl)-7-(o-tolyl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(3-furanylmethyl)-7-(2-methylphenyl)-9-[[(3S)-3-oxolanyl]oxy]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(furan-3-ylmethyl)-7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(3-furfuryl)-7-(o-tolyl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC4CCOC4)OCCN(C3)CC5=COC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)O[C@H]4CCOC4)OCCN(C3)CC5=COC=C5

InChI

InChI=1S/C25H27NO4/c1-18-4-2-3-5-23(18)20-12-21-15-26(14-19-6-9-27-16-19)8-11-29-25(21)24(13-20)30-22-7-10-28-17-22/h2-6,9,12-13,16,22H,7-8,10-11,14-15,17H2,1H3/t22-/m0/s1