1-[[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1-oxidanylidene-3H-isoindol-5-yl]methyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]urea

Systemtic Name: 1-[[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1-oxidanylidene-3H-isoindol-5-yl]methyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]urea Openeye Name: 1-[[2-(2,6-dioxo-3-piperidyl)-1-oxo-isoindolin-5-yl]methyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]urea CAS Name: 1-[[2-(2,6-dioxo-3-piperidinyl)-1-oxo-3H-isoindol-5-yl]methyl]-3-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]urea IUPAC Name: 1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]urea Traditional Name: 1-[[2-(2,6-diketo-3-piperidyl)-1-keto-isoindolin-5-yl]methyl]-3-[3-[(4-methylpiperazino)methyl]phenyl]urea Formula: C27H32N6O4 MolecularWeight: 504.58078

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=CC=C2)NC(=O)NCC3=CC4=C(C=C3)C(=O)N(C4)C5CCC(=O)NC5=O

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=CC=C2)NC(=O)NCC3=CC4=C(C=C3)C(=O)N(C4)C5CCC(=O)NC5=O

InChI

InChI=1S/C27H32N6O4/c1-31-9-11-32(12-10-31)16-19-3-2-4-21(14-19)29-27(37)28-15-18-5-6-22-20(13-18)17-33(26(22)36)23-7-8-24(34)30-25(23)35/h2-6,13-14,23H,7-12,15-17H2,1H3,(H2,28,29,37)(H,30,34,35)