2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(1,2-benzoxazol-3-yl)-1-piperazinyl]ethyl]-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-[2-(4-indoxazen-3-ylpiperazino)ethyl]-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCN3CCN(CC3)C4=NOC5=CC=CC=C54)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCN3CCN(CC3)C4=NOC5=CC=CC=C54)C

InChI

InChI=1S/C24H26N4O3/c1-24(2)19-9-5-3-7-17(19)22(29)28(23(24)30)16-13-26-11-14-27(15-12-26)21-18-8-4-6-10-20(18)31-25-21/h3-10H,11-16H2,1-2H3