(2S)-7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-cyclohexyloxy-2-methyl-heptanamide

Systemtic Name: (2S)-7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-cyclohexyloxy-2-methyl-heptanamide Openeye Name: (2S)-7-[[(cyanoamino)-(4-pyridylamino)methylene]amino]-N-(cyclohexoxy)-2-methyl-heptanamide CAS Name: (2S)-7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-cyclohexyloxy-2-methylheptanamide IUPAC Name: (2S)-7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-cyclohexyloxy-2-methylheptanamide Traditional Name: (2S)-7-[[(cyanoamino)-(4-pyridylamino)methylene]amino]-N-(cyclohexoxy)-2-methyl-enanthamide Formula: C21H32N6O2 MolecularWeight: 400.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCN=C(NC#N)NC1=CC=NC=C1)C(=O)NOC2CCCCC2

Isomeric SMILES

C[C@@H](CCCCCN=C(NC#N)NC1=CC=NC=C1)C(=O)NOC2CCCCC2

InChI

InChI=1S/C21H32N6O2/c1-17(20(28)27-29-19-9-5-2-6-10-19)8-4-3-7-13-24-21(25-16-22)26-18-11-14-23-15-12-18/h11-12,14-15,17,19H,2-10,13H2,1H3,(H,27,28)(H2,23,24,25,26)/t17-/m0/s1