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

Systemtic Name: 2-(4-azanylbut-1-ynyl)-N-[4-[methyl-[2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]benzamide Openeye Name: 2-(4-aminobut-1-ynyl)-N-[4-[methyl-[2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenyl]benzamide CAS Name: 2-(4-aminobut-1-ynyl)-N-[4-[[N-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]phenyl]benzamide IUPAC Name: 2-(4-aminobut-1-ynyl)-N-[4-[methyl-[2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]benzamide Traditional Name: 2-(4-aminobut-1-ynyl)-N-[4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]phenyl]-methyl-carbamoyl]phenyl]benzamide Formula: C36H43N5O4 MolecularWeight: 609.75772

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCCCOC2=CC=CC=C2N(C)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C#CCCN

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCCOC2=CC=CC=C2N(C)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C#CCCN

InChI

InChI=1S/C36H43N5O4/c1-39-23-25-41(26-24-39)34(42)17-4-3-11-27-45-33-16-8-7-15-32(33)40(2)36(44)29-18-20-30(21-19-29)38-35(43)31-14-6-5-12-28(31)13-9-10-22-37/h5-8,12,14-16,18-21H,3-4,10-11,17,22-27,37H2,1-2H3,(H,38,43)