N-(2-aminophenyl)-4-[3-methyl-5-[(prop-2-ynylamino)methyl]pyridin-2-yl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[3-methyl-5-[(prop-2-ynylamino)methyl]pyridin-2-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[3-methyl-5-[(prop-2-ynylamino)methyl]-2-pyridyl]benzamide CAS Name: N-(2-aminophenyl)-4-[3-methyl-5-[(prop-2-ynylamino)methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-methyl-5-[(prop-2-ynylamino)methyl]pyridin-2-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[3-methyl-5-[(propargylamino)methyl]-2-pyridyl]benzamide Formula: C23H22N4O MolecularWeight: 370.44698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)CNCC#C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N

Isomeric SMILES

CC1=C(N=CC(=C1)CNCC#C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N

InChI

InChI=1S/C23H22N4O/c1-3-12-25-14-17-13-16(2)22(26-15-17)18-8-10-19(11-9-18)23(28)27-21-7-5-4-6-20(21)24/h1,4-11,13,15,25H,12,14,24H2,2H3,(H,27,28)