N-[4-methyl-3-[[3-(piperazin-1-ylmethyl)phenyl]carbonylamino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide

Systemtic Name: N-[4-methyl-3-[[3-(piperazin-1-ylmethyl)phenyl]carbonylamino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide Openeye Name: N-[4-methyl-3-[[3-(piperazin-1-ylmethyl)benzoyl]amino]phenyl]-2-morpholino-pyridine-4-carboxamide CAS Name: N-[4-methyl-3-[[oxo-[3-(1-piperazinylmethyl)phenyl]methyl]amino]phenyl]-2-(4-morpholinyl)-4-pyridinecarboxamide IUPAC Name: N-[4-methyl-3-[[3-(piperazin-1-ylmethyl)benzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide Traditional Name: N-[4-methyl-3-[[3-(piperazinomethyl)benzoyl]amino]phenyl]-2-morpholino-isonicotinamide Formula: C29H34N6O3 MolecularWeight: 514.61866

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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=CC(=CC=C4)CN5CCNCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)NC(=O)C4=CC(=CC=C4)CN5CCNCC5

InChI

InChI=1S/C29H34N6O3/c1-21-5-6-25(32-28(36)24-7-8-31-27(18-24)35-13-15-38-16-14-35)19-26(21)33-29(37)23-4-2-3-22(17-23)20-34-11-9-30-10-12-34/h2-8,17-19,30H,9-16,20H2,1H3,(H,32,36)(H,33,37)