9-(4-methylpiperazin-1-yl)-1-phenylsulfanyl-pyrrolo[1,2-a]azepin-7-one

Systemtic Name: 9-(4-methylpiperazin-1-yl)-1-phenylsulfanyl-pyrrolo[1,2-a]azepin-7-one Openeye Name: 9-(4-methylpiperazin-1-yl)-1-phenylsulfanyl-pyrrolo[1,2-a]azepin-7-one CAS Name: 9-(4-methyl-1-piperazinyl)-1-(phenylthio)-7-pyrrolo[1,2-a]azepinone IUPAC Name: 9-(4-methylpiperazin-1-yl)-1-phenylsulfanylpyrrolo[1,2-a]azepin-7-one Traditional Name: 9-(4-methylpiperazino)-1-(phenylthio)pyrrol[1,2-a]azepin-7-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=O)C=CN3C2=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=CC(=O)C=CN3C2=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C20H21N3OS/c1-21-11-13-22(14-12-21)18-15-16(24)7-9-23-10-8-19(20(18)23)25-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3