2-(2-ethylimidazol-1-yl)-N-[4-[methyl-[2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]benzamide

Systemtic Name: 2-(2-ethylimidazol-1-yl)-N-[4-[methyl-[2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]benzamide Openeye Name: 2-(2-ethylimidazol-1-yl)-N-[4-[methyl-[2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenyl]benzamide CAS Name: 2-(2-ethyl-1-imidazolyl)-N-[4-[[N-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]phenyl]benzamide IUPAC Name: 2-(2-ethylimidazol-1-yl)-N-[4-[methyl-[2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]benzamide Traditional Name: 2-(2-ethylimidazol-1-yl)-N-[4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]phenyl]-methyl-carbamoyl]phenyl]benzamide Formula: C37H44N6O4 MolecularWeight: 636.78306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CN1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N(C)C4=CC=CC=C4OCCCCCC(=O)N5CCN(CC5)C

Isomeric SMILES

CCC1=NC=CN1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N(C)C4=CC=CC=C4OCCCCCC(=O)N5CCN(CC5)C

InChI

InChI=1S/C37H44N6O4/c1-4-34-38-21-22-43(34)31-13-8-7-12-30(31)36(45)39-29-19-17-28(18-20-29)37(46)41(3)32-14-9-10-15-33(32)47-27-11-5-6-16-35(44)42-25-23-40(2)24-26-42/h7-10,12-15,17-22H,4-6,11,16,23-27H2,1-3H3,(H,39,45)