tert-butyl N-[1-[(Z)-[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecyl]carbamate

Systemtic Name: tert-butyl N-[1-[(Z)-[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecyl]carbamate Openeye Name: tert-butyl N-[1-[(Z)-[(cyanoamino)-(4-pyridylamino)methylene]amino]dodecyl]carbamate CAS Name: N-[1-[(Z)-[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(Z)-[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecyl]carbamate Traditional Name: N-[1-[(Z)-[(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:

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

Isomeric SMILES

CCCCCCCCCCCC(NC(=O)OC(C)(C)C)/N=C(\NC#N)/NC1=CC=NC=C1

InChI

InChI=1S/C24H40N6O2/c1-5-6-7-8-9-10-11-12-13-14-21(30-23(31)32-24(2,3)4)29-22(27-19-25)28-20-15-17-26-18-16-20/h15-18,21H,5-14H2,1-4H3,(H,30,31)(H2,26,27,28,29)