3-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-1-(1-phenethylpiperidin-4-yl)-1-phenyl-urea

Systemtic Name: 3-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-1-(1-phenethylpiperidin-4-yl)-1-phenyl-urea Openeye Name: 3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-1-(1-phenethyl-4-piperidyl)-1-phenyl-urea CAS Name: 3-[2-(2,5-dioxo-1-pyrrolyl)ethyl]-1-(1-phenethyl-4-piperidinyl)-1-phenylurea IUPAC Name: 3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-1-(1-phenethylpiperidin-4-yl)-1-phenylurea Traditional Name: 3-(2-maleimidoethyl)-1-(1-phenethyl-4-piperidyl)-1-phenyl-urea Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(C2=CC=CC=C2)C(=O)NCCN3C(=O)C=CC3=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N(C2=CC=CC=C2)C(=O)NCCN3C(=O)C=CC3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c31-24-11-12-25(32)29(24)20-16-27-26(33)30(22-9-5-2-6-10-22)23-14-18-28(19-15-23)17-13-21-7-3-1-4-8-21/h1-12,23H,13-20H2,(H,27,33)