4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-3-methoxy-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzamide

Systemtic Name: 4-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-3-methoxy-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]benzamide Openeye Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxy-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]benzamide CAS Name: 4-[[[2-(3-aminopropoxy)phenyl]-oxomethyl]amino]-3-methoxy-N-methyl-N-[2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]benzamide IUPAC Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-3-methoxy-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzamide Traditional Name: 4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[6-keto-6-(4-methylpiperazino)hexoxy]phenyl]-3-methoxy-N-methyl-benzamide Formula: C36H47N5O6 MolecularWeight: 645.78828

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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=C4OCCCN)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCCOC2=CC=CC=C2N(C)C(=O)C3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4OCCCN)OC

InChI

InChI=1S/C36H47N5O6/c1-39-20-22-41(23-21-39)34(42)16-5-4-10-24-47-32-15-9-7-13-30(32)40(2)36(44)27-17-18-29(33(26-27)45-3)38-35(43)28-12-6-8-14-31(28)46-25-11-19-37/h6-9,12-15,17-18,26H,4-5,10-11,16,19-25,37H2,1-3H3,(H,38,43)