7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-4-[(4-propan-2-ylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-4-[(4-propan-2-ylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(3,6-dimethylpyrazin-2-yl)-4-[(4-isopropylphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(3,6-dimethyl-2-pyrazinyl)-9-methoxy-4-[(4-propan-2-ylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-4-[(4-propan-2-ylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(3,6-dimethylpyrazin-2-yl)-4-(4-isopropylbenzyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=C(C=C4)C(C)C)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=C(C=C4)C(C)C)C

InChI

InChI=1S/C26H31N3O2/c1-17(2)21-8-6-20(7-9-21)15-29-10-11-31-26-23(16-29)12-22(13-24(26)30-5)25-19(4)27-14-18(3)28-25/h6-9,12-14,17H,10-11,15-16H2,1-5H3