tert-butyl N-[8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octyl]carbamate

Systemtic Name: tert-butyl N-[8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octyl]carbamate Openeye Name: tert-butyl N-[8-[[(cyanoamino)-(4-pyridylamino)methylene]amino]octyl]carbamate CAS Name: N-[8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octyl]carbamate Traditional Name: N-[8-[[(cyanoamino)-(4-pyridylamino)methylene]amino]octyl]carbamic acid tert-butyl ester Formula: C20H32N6O2 MolecularWeight: 388.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCCCN=C(NC#N)NC1=CC=NC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCCCN=C(NC#N)NC1=CC=NC=C1

InChI

InChI=1S/C20H32N6O2/c1-20(2,3)28-19(27)24-13-9-7-5-4-6-8-12-23-18(25-16-21)26-17-10-14-22-15-11-17/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,24,27)(H2,22,23,25,26)