tert-butyl N-[1-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[[(cyanoamino)-(4-pyridylamino)methylene]amino]methyl]undecyl]carbamate CAS Name: N-[1-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]dodecan-2-yl]carbamate Traditional Name: N-[1-[[[(cyanoamino)-(4-pyridylamino)methylene]amino]methyl]undecyl]carbamic acid tert-butyl ester Formula: C24H40N6O2 MolecularWeight: 444.6134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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