tert-butyl N-[10-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]decyl]carbamate

Systemtic Name: tert-butyl N-[10-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]decyl]carbamate Openeye Name: tert-butyl N-[10-[[(cyanoamino)-(4-pyridylamino)methylene]amino]decyl]carbamate CAS Name: N-[10-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]decyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[10-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]decyl]carbamate Traditional Name: N-[10-[[(cyanoamino)-(4-pyridylamino)methylene]amino]decyl]carbamic acid tert-butyl ester Formula: C22H36N6O2 MolecularWeight: 416.56024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N6O2/c1-22(2,3)30-21(29)26-15-11-9-7-5-4-6-8-10-14-25-20(27-18-23)28-19-12-16-24-17-13-19/h12-13,16-17H,4-11,14-15H2,1-3H3,(H,26,29)(H2,24,25,27,28)