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

Systemtic Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Openeye Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one CAS Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Traditional Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N4O3S/c1-16-7-9-28(26-16)10-8-22(29)27-11-12-31-23-18(15-27)13-17(14-20(23)30-2)24-25-19-5-3-4-6-21(19)32-24/h3-7,9,13-14H,8,10-12,15H2,1-2H3