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

Systemtic Name: 2-azanyl-N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylamino]phenyl]-3-morpholin-4-yl-benzamide Openeye Name: 2-amino-N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]-3-morpholino-benzamide CAS Name: 2-amino-N-[4-methyl-3-[[[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]phenyl]-3-(4-morpholinyl)benzamide IUPAC Name: 2-amino-N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide Traditional Name: 2-amino-N-[4-methyl-3-[[3-[(4-methylpiperazino)methyl]benzoyl]amino]phenyl]-3-morpholino-benzamide Formula: C31H38N6O3 MolecularWeight: 542.67182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)N3CCOCC3)N)NC(=O)C4=CC(=CC=C4)CN5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)N3CCOCC3)N)NC(=O)C4=CC(=CC=C4)CN5CCN(CC5)C

InChI

InChI=1S/C31H38N6O3/c1-22-9-10-25(33-31(39)26-7-4-8-28(29(26)32)37-15-17-40-18-16-37)20-27(22)34-30(38)24-6-3-5-23(19-24)21-36-13-11-35(2)12-14-36/h3-10,19-20H,11-18,21,32H2,1-2H3,(H,33,39)(H,34,38)