(E)-1-[7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[7-(3,6-dimethyl-2-pyrazinyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-thienyl)prop-2-en-1-one Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)C=CC4=CC=CS4)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)/C=C/C4=CC=CS4)C

InChI

InChI=1S/C23H23N3O3S/c1-15-13-24-16(2)22(25-15)17-11-18-14-26(8-9-29-23(18)20(12-17)28-3)21(27)7-6-19-5-4-10-30-19/h4-7,10-13H,8-9,14H2,1-3H3/b7-6+