N-(2-aminophenyl)-4-[3-cyano-5-[[4-(dimethylamino)butan-2-ylamino]methyl]pyridin-2-yl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(dimethylamino)butan-2-ylamino]methyl]pyridin-2-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[3-cyano-5-[[[3-(dimethylamino)-1-methyl-propyl]amino]methyl]-2-pyridyl]benzamide CAS Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(dimethylamino)butan-2-ylamino]methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(dimethylamino)butan-2-ylamino]methyl]pyridin-2-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[3-cyano-5-[[[3-(dimethylamino)-1-methyl-propyl]amino]methyl]-2-pyridyl]benzamide Formula: C26H30N6O MolecularWeight: 442.556

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(C)C)NCC1=CN=C(C(=C1)C#N)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N

Isomeric SMILES

CC(CCN(C)C)NCC1=CN=C(C(=C1)C#N)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N

InChI

InChI=1S/C26H30N6O/c1-18(12-13-32(2)3)29-16-19-14-22(15-27)25(30-17-19)20-8-10-21(11-9-20)26(33)31-24-7-5-4-6-23(24)28/h4-11,14,17-18,29H,12-13,16,28H2,1-3H3,(H,31,33)