(2-azanylpyridin-3-yl)-[6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-3-prop-1-ynyl-pyridin-2-yl]methanone

Systemtic Name: (2-azanylpyridin-3-yl)-[6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-3-prop-1-ynyl-pyridin-2-yl]methanone Openeye Name: (2-amino-3-pyridyl)-[6-[(3R)-3-isobutylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridyl]methanone CAS Name: (2-amino-3-pyridinyl)-[6-[(3R)-3-(2-methylpropyl)-1-piperazinyl]-3-prop-1-ynyl-2-pyridinyl]methanone IUPAC Name: (2-aminopyridin-3-yl)-[6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-3-prop-1-ynylpyridin-2-yl]methanone Traditional Name: (2-amino-3-pyridyl)-[6-[(3R)-3-isobutylpiperazino]-3-prop-1-ynyl-2-pyridyl]methanone Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(N=C(C=C1)N2CCNC(C2)CC(C)C)C(=O)C3=C(N=CC=C3)N

Isomeric SMILES

CC#CC1=C(N=C(C=C1)N2CCN[C@@H](C2)CC(C)C)C(=O)C3=C(N=CC=C3)N

InChI

InChI=1S/C22H27N5O/c1-4-6-16-8-9-19(27-12-11-24-17(14-27)13-15(2)3)26-20(16)21(28)18-7-5-10-25-22(18)23/h5,7-10,15,17,24H,11-14H2,1-3H3,(H2,23,25)/t17-/m1/s1