3-azanyl-2-chloranyl-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-4-(2-phenylmethoxyphenyl)carbonyl-benzamide

Systemtic Name: 3-azanyl-2-chloranyl-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-4-(2-phenylmethoxyphenyl)carbonyl-benzamide Openeye Name: 3-amino-4-(2-benzyloxybenzoyl)-2-chloro-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]benzamide CAS Name: 3-amino-2-chloro-N-methyl-N-[2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]-4-[oxo-(2-phenylmethoxyphenyl)methyl]benzamide IUPAC Name: 3-amino-2-chloro-N-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]-4-(2-phenylmethoxybenzoyl)benzamide Traditional Name: 3-amino-4-(2-benzoxybenzoyl)-2-chloro-N-[2-[6-keto-6-(4-methylpiperazino)hexoxy]phenyl]-N-methyl-benzamide Formula: C39H43ClN4O5 MolecularWeight: 683.23552

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCCCOC2=CC=CC=C2N(C)C(=O)C3=C(C(=C(C=C3)C(=O)C4=CC=CC=C4OCC5=CC=CC=C5)N)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCCOC2=CC=CC=C2N(C)C(=O)C3=C(C(=C(C=C3)C(=O)C4=CC=CC=C4OCC5=CC=CC=C5)N)Cl

InChI

InChI=1S/C39H43ClN4O5/c1-42-22-24-44(25-23-42)35(45)19-7-4-12-26-48-34-18-11-9-16-32(34)43(2)39(47)30-20-21-31(37(41)36(30)40)38(46)29-15-8-10-17-33(29)49-27-28-13-5-3-6-14-28/h3,5-6,8-11,13-18,20-21H,4,7,12,19,22-27,41H2,1-2H3