tert-butyl N-[12-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecyl]carbamate

Systemtic Name: tert-butyl N-[12-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecyl]carbamate Openeye Name: tert-butyl N-[12-[[(cyanoamino)-(4-pyridylamino)methylene]amino]dodecyl]carbamate CAS Name: N-[12-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[12-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecyl]carbamate Traditional Name: N-[12-[[(cyanoamino)-(4-pyridylamino)methylene]amino]dodecyl]carbamic acid tert-butyl ester Formula: C24H40N6O2 MolecularWeight: 444.6134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N6O2/c1-24(2,3)32-23(31)28-17-13-11-9-7-5-4-6-8-10-12-16-27-22(29-20-25)30-21-14-18-26-19-15-21/h14-15,18-19H,4-13,16-17H2,1-3H3,(H,28,31)(H2,26,27,29,30)