[4-[5-[2-(cyclopropylamino)-6-pyridin-2-yl-pyridin-4-yl]pyridin-3-yl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone

Systemtic Name: [4-[5-[2-(cyclopropylamino)-6-pyridin-2-yl-pyridin-4-yl]pyridin-3-yl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone Openeye Name: [4-[5-[2-(cyclopropylamino)-6-(2-pyridyl)-4-pyridyl]-3-pyridyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone CAS Name: [4-[5-[2-(cyclopropylamino)-6-(2-pyridinyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(3,5-dimethyl-1-piperazinyl)methanone IUPAC Name: [4-[5-[2-(cyclopropylamino)-6-pyridin-2-ylpyridin-4-yl]pyridin-3-yl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone Traditional Name: [4-[5-[2-(cyclopropylamino)-6-(2-pyridyl)-4-pyridyl]-3-pyridyl]phenyl]-(3,5-dimethylpiperazino)methanone Formula: C31H32N6O MolecularWeight: 504.62538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C(=O)C2=CC=C(C=C2)C3=CC(=CN=C3)C4=CC(=NC(=C4)NC5CC5)C6=CC=CC=N6

Isomeric SMILES

CC1CN(CC(N1)C)C(=O)C2=CC=C(C=C2)C3=CC(=CN=C3)C4=CC(=NC(=C4)NC5CC5)C6=CC=CC=N6

InChI

InChI=1S/C31H32N6O/c1-20-18-37(19-21(2)34-20)31(38)23-8-6-22(7-9-23)25-13-26(17-32-16-25)24-14-29(28-5-3-4-12-33-28)36-30(15-24)35-27-10-11-27/h3-9,12-17,20-21,27,34H,10-11,18-19H2,1-2H3,(H,35,36)