2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-[3-[(3-morpholin-4-ylphenyl)carbonylamino]phenyl]benzamide

Systemtic Name: 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-[3-[(3-morpholin-4-ylphenyl)carbonylamino]phenyl]benzamide Openeye Name: 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-[3-[(3-morpholinobenzoyl)amino]phenyl]benzamide CAS Name: 2-methyl-3-[(4-methyl-1-piperazinyl)methyl]-4-[3-[[[3-(4-morpholinyl)phenyl]-oxomethyl]amino]phenyl]benzamide IUPAC Name: 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-[3-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide Traditional Name: 2-methyl-3-[(4-methylpiperazino)methyl]-4-[3-[(3-morpholinobenzoyl)amino]phenyl]benzamide Formula: C31H37N5O3 MolecularWeight: 527.65718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1CN2CCN(CC2)C)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)N5CCOCC5)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1CN2CCN(CC2)C)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)N5CCOCC5)C(=O)N

InChI

InChI=1S/C31H37N5O3/c1-22-27(30(32)37)9-10-28(29(22)21-35-13-11-34(2)12-14-35)23-5-3-7-25(19-23)33-31(38)24-6-4-8-26(20-24)36-15-17-39-18-16-36/h3-10,19-20H,11-18,21H2,1-2H3,(H2,32,37)(H,33,38)