N-(2-aminophenyl)-4-[3-methyl-5-[(4-prop-2-ynylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[3-methyl-5-[(4-prop-2-ynylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[3-methyl-5-[(4-prop-2-ynylpiperazin-1-yl)methyl]-2-pyridyl]benzamide CAS Name: N-(2-aminophenyl)-4-[3-methyl-5-[(4-prop-2-ynyl-1-piperazinyl)methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-methyl-5-[(4-prop-2-ynylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[3-methyl-5-[(4-propargylpiperazino)methyl]-2-pyridyl]benzamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)CN2CCN(CC2)CC#C)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

CC1=C(N=CC(=C1)CN2CCN(CC2)CC#C)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C27H29N5O/c1-3-12-31-13-15-32(16-14-31)19-21-17-20(2)26(29-18-21)22-8-10-23(11-9-22)27(33)30-25-7-5-4-6-24(25)28/h1,4-11,17-18H,12-16,19,28H2,2H3,(H,30,33)