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

Systemtic Name: N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-3-oxidanyl-2-[(2-phenylmethoxyphenyl)carbonylamino]benzamide Openeye Name: 2-[(2-benzyloxybenzoyl)amino]-3-hydroxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]benzamide CAS Name: 3-hydroxy-N-methyl-N-[4-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]-2-[[oxo-(2-phenylmethoxyphenyl)methyl]amino]benzamide IUPAC Name: 3-hydroxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]-2-[(2-phenylmethoxybenzoyl)amino]benzamide Traditional Name: 2-[(2-benzoxybenzoyl)amino]-3-hydroxy-N-[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-N-methyl-benzamide Formula: C40H46N4O6 MolecularWeight: 678.81644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=C(C(=CC=C2)O)NC(=O)C3=CC=CC=C3OCC4=CC=CC=C4)OCCCCCC(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=C(C(=CC=C2)O)NC(=O)C3=CC=CC=C3OCC4=CC=CC=C4)OCCCCCC(=O)N5CCN(CC5)C

InChI

InChI=1S/C40H46N4O6/c1-29-20-21-33(36(27-29)49-26-11-5-8-19-37(46)44-24-22-42(2)23-25-44)43(3)40(48)32-16-12-17-34(45)38(32)41-39(47)31-15-9-10-18-35(31)50-28-30-13-6-4-7-14-30/h4,6-7,9-10,12-18,20-21,27,45H,5,8,11,19,22-26,28H2,1-3H3,(H,41,47)