(E)-3-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-(4-methylpiperazin-1-yl)prop-2-enal

Systemtic Name: (E)-3-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-(4-methylpiperazin-1-yl)prop-2-enal Openeye Name: (E)-3-(9,10-dioxo-1-anthryl)-2-(4-methylpiperazin-1-yl)prop-2-enal CAS Name: (E)-3-(9,10-dioxo-1-anthracenyl)-2-(4-methyl-1-piperazinyl)-2-propenal IUPAC Name: (E)-3-(9,10-dioxoanthracen-1-yl)-2-(4-methylpiperazin-1-yl)prop-2-enal Traditional Name: (E)-3-(9,10-diketo-1-anthryl)-2-(4-methylpiperazino)acrolein Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=CC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C=O

Isomeric SMILES

CN1CCN(CC1)/C(=C/C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)/C=O

InChI

InChI=1S/C22H20N2O3/c1-23-9-11-24(12-10-23)16(14-25)13-15-5-4-8-19-20(15)22(27)18-7-3-2-6-17(18)21(19)26/h2-8,13-14H,9-12H2,1H3/b16-13+