4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-4-[(3S)-3-oxidanylpiperidin-1-yl]but-1-enyl]pyridine-3-carbonitrile

Systemtic Name: 4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-4-[(3S)-3-oxidanylpiperidin-1-yl]but-1-enyl]pyridine-3-carbonitrile Openeye Name: 5-[(E)-4-[(3S)-3-hydroxy-1-piperidyl]but-1-enyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile CAS Name: 5-[(E)-4-[(3S)-3-hydroxy-1-piperidinyl]but-1-enyl]-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinecarbonitrile IUPAC Name: 5-[(E)-4-[(3S)-3-hydroxypiperidin-1-yl]but-1-enyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile Traditional Name: 5-[(E)-4-[(3S)-3-hydroxypiperidino]but-1-enyl]-4-[(4-methyl-1H-indol-5-yl)amino]nicotinonitrile Formula: C24H27N5O MolecularWeight: 401.50408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=CN2)NC3=C(C=NC=C3C#N)C=CCCN4CCCC(C4)O

Isomeric SMILES

CC1=C(C=CC2=C1C=CN2)NC3=C(C=NC=C3C#N)/C=C/CCN4CCC[C@@H](C4)O

InChI

InChI=1S/C24H27N5O/c1-17-21-9-10-27-23(21)8-7-22(17)28-24-18(14-26-15-19(24)13-25)5-2-3-11-29-12-4-6-20(30)16-29/h2,5,7-10,14-15,20,27,30H,3-4,6,11-12,16H2,1H3,(H,26,28)/b5-2+/t20-/m0/s1