2-[2-[[2-methyl-3-(propan-2-ylcarbamoyl)phenyl]amino]pyridin-4-yl]-6-piperazin-1-yl-pyridine-4-carboxamide

Systemtic Name: 2-[2-[[2-methyl-3-(propan-2-ylcarbamoyl)phenyl]amino]pyridin-4-yl]-6-piperazin-1-yl-pyridine-4-carboxamide Openeye Name: 2-[2-[3-(isopropylcarbamoyl)-2-methyl-anilino]-4-pyridyl]-6-piperazin-1-yl-pyridine-4-carboxamide CAS Name: 2-[2-[2-methyl-3-[oxo-(propan-2-ylamino)methyl]anilino]-4-pyridinyl]-6-(1-piperazinyl)-4-pyridinecarboxamide IUPAC Name: 2-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]pyridin-4-yl]-6-piperazin-1-ylpyridine-4-carboxamide Traditional Name: 2-[2-[3-(isopropylcarbamoyl)-2-methyl-anilino]-4-pyridyl]-6-piperazino-isonicotinamide Formula: C26H31N7O2 MolecularWeight: 473.57004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2=NC=CC(=C2)C3=NC(=CC(=C3)C(=O)N)N4CCNCC4)C(=O)NC(C)C

Isomeric SMILES

CC1=C(C=CC=C1NC2=NC=CC(=C2)C3=NC(=CC(=C3)C(=O)N)N4CCNCC4)C(=O)NC(C)C

InChI

InChI=1S/C26H31N7O2/c1-16(2)30-26(35)20-5-4-6-21(17(20)3)31-23-14-18(7-8-29-23)22-13-19(25(27)34)15-24(32-22)33-11-9-28-10-12-33/h4-8,13-16,28H,9-12H2,1-3H3,(H2,27,34)(H,29,31)(H,30,35)