1-[7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(4-methylphenyl)propan-1-one

Systemtic Name: 1-[7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(4-methylphenyl)propan-1-one Openeye Name: 1-[7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(p-tolyl)propan-1-one CAS Name: 1-[7-(3,6-dimethyl-2-pyrazinyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(4-methylphenyl)-1-propanone IUPAC Name: 1-[7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(4-methylphenyl)propan-1-one Traditional Name: 1-[7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(p-tolyl)propan-1-one Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=NC(=CN=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=NC(=CN=C4C)C

InChI

InChI=1S/C26H29N3O3/c1-17-5-7-20(8-6-17)9-10-24(30)29-11-12-32-26-22(16-29)13-21(14-23(26)31-4)25-19(3)27-15-18(2)28-25/h5-8,13-15H,9-12,16H2,1-4H3