9-methoxy-7-(4-methylphenyl)-4-(2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-7-(4-methylphenyl)-4-(2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-isobutyl-9-methoxy-7-(p-tolyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-7-(4-methylphenyl)-4-(2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-7-(4-methylphenyl)-4-(2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-isobutyl-9-methoxy-7-(p-tolyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC(C)C

InChI

InChI=1S/C21H27NO2/c1-15(2)13-22-9-10-24-21-19(14-22)11-18(12-20(21)23-4)17-7-5-16(3)6-8-17/h5-8,11-12,15H,9-10,13-14H2,1-4H3