(2-azanyl-5-ethenyl-pyridin-3-yl)-[6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]pyridin-2-yl]methanone

Systemtic Name: (2-azanyl-5-ethenyl-pyridin-3-yl)-[6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]pyridin-2-yl]methanone Openeye Name: (2-amino-5-vinyl-3-pyridyl)-[6-[(3R)-3-isobutylpiperazin-1-yl]-2-pyridyl]methanone CAS Name: (2-amino-5-ethenyl-3-pyridinyl)-[6-[(3R)-3-(2-methylpropyl)-1-piperazinyl]-2-pyridinyl]methanone IUPAC Name: (2-amino-5-ethenylpyridin-3-yl)-[6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]pyridin-2-yl]methanone Traditional Name: (2-amino-5-vinyl-3-pyridyl)-[6-[(3R)-3-isobutylpiperazino]-2-pyridyl]methanone Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1)C2=CC=CC(=N2)C(=O)C3=C(N=CC(=C3)C=C)N

Isomeric SMILES

CC(C)C[C@@H]1CN(CCN1)C2=CC=CC(=N2)C(=O)C3=C(N=CC(=C3)C=C)N

InChI

InChI=1S/C21H27N5O/c1-4-15-11-17(21(22)24-12-15)20(27)18-6-5-7-19(25-18)26-9-8-23-16(13-26)10-14(2)3/h4-7,11-12,14,16,23H,1,8-10,13H2,2-3H3,(H2,22,24)/t16-/m1/s1