N-[3-[[2-azanyl-5-(4-methylpiperazin-1-yl)phenyl]carbonylamino]-4-methyl-phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide

Systemtic Name: N-[3-[[2-azanyl-5-(4-methylpiperazin-1-yl)phenyl]carbonylamino]-4-methyl-phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide Openeye Name: N-[3-[[2-amino-5-(4-methylpiperazin-1-yl)benzoyl]amino]-4-methyl-phenyl]-2-morpholino-pyridine-4-carboxamide CAS Name: N-[3-[[[2-amino-5-(4-methyl-1-piperazinyl)phenyl]-oxomethyl]amino]-4-methylphenyl]-2-(4-morpholinyl)-4-pyridinecarboxamide IUPAC Name: N-[3-[[2-amino-5-(4-methylpiperazin-1-yl)benzoyl]amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide Traditional Name: N-[3-[[2-amino-5-(4-methylpiperazino)benzoyl]amino]-4-methyl-phenyl]-2-morpholino-isonicotinamide Formula: C29H35N7O3 MolecularWeight: 529.6333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)NC(=O)C4=C(C=CC(=C4)N5CCN(CC5)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)NC(=O)C4=C(C=CC(=C4)N5CCN(CC5)C)N

InChI

InChI=1S/C29H35N7O3/c1-20-3-4-22(32-28(37)21-7-8-31-27(17-21)36-13-15-39-16-14-36)18-26(20)33-29(38)24-19-23(5-6-25(24)30)35-11-9-34(2)10-12-35/h3-8,17-19H,9-16,30H2,1-2H3,(H,32,37)(H,33,38)