N-(2-aminophenyl)-4-[3-cyano-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-isopropylpiperazin-1-yl)methyl]-2-pyridyl]benzamide CAS Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-propan-2-yl-1-piperazinyl)methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-isopropylpiperazino)methyl]-2-pyridyl]benzamide Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

CC(C)N1CCN(CC1)CC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C27H30N6O/c1-19(2)33-13-11-32(12-14-33)18-20-15-23(16-28)26(30-17-20)21-7-9-22(10-8-21)27(34)31-25-6-4-3-5-24(25)29/h3-10,15,17,19H,11-14,18,29H2,1-2H3,(H,31,34)