N-(3-acetamidopropyl)-7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-cyclohexyloxy-heptanamide

Systemtic Name: N-(3-acetamidopropyl)-7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-cyclohexyloxy-heptanamide Openeye Name: N-(3-acetamidopropyl)-7-[[(cyanoamino)-(4-pyridylamino)methylene]amino]-N-(cyclohexoxy)heptanamide CAS Name: N-(3-acetamidopropyl)-7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-cyclohexyloxyheptanamide IUPAC Name: N-(3-acetamidopropyl)-7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-cyclohexyloxyheptanamide Traditional Name: N-(3-acetamidopropyl)-7-[[(cyanoamino)-(4-pyridylamino)methylene]amino]-N-(cyclohexoxy)enanthamide Formula: C25H39N7O3 MolecularWeight: 485.62226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCN(C(=O)CCCCCCN=C(NC#N)NC1=CC=NC=C1)OC2CCCCC2

Isomeric SMILES

CC(=O)NCCCN(C(=O)CCCCCCN=C(NC#N)NC1=CC=NC=C1)OC2CCCCC2

InChI

InChI=1S/C25H39N7O3/c1-21(33)28-16-9-19-32(35-23-10-5-4-6-11-23)24(34)12-7-2-3-8-15-29-25(30-20-26)31-22-13-17-27-18-14-22/h13-14,17-18,23H,2-12,15-16,19H2,1H3,(H,28,33)(H2,27,29,30,31)