tert-butyl N-[7-[[5-(1-methylpyrrolidin-2-yl)pyridin-2-yl]amino]-7-oxidanylidene-heptyl]carbamate

Systemtic Name: tert-butyl N-[7-[[5-(1-methylpyrrolidin-2-yl)pyridin-2-yl]amino]-7-oxidanylidene-heptyl]carbamate Openeye Name: tert-butyl N-[7-[[5-(1-methylpyrrolidin-2-yl)-2-pyridyl]amino]-7-oxo-heptyl]carbamate CAS Name: N-[7-[[5-(1-methyl-2-pyrrolidinyl)-2-pyridinyl]amino]-7-oxoheptyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-[[5-(1-methylpyrrolidin-2-yl)pyridin-2-yl]amino]-7-oxoheptyl]carbamate Traditional Name: N-[7-keto-7-[[5-(1-methylpyrrolidin-2-yl)-2-pyridyl]amino]heptyl]carbamic acid tert-butyl ester Formula: C22H36N4O3 MolecularWeight: 404.54624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCC(=O)NC1=NC=C(C=C1)C2CCCN2C

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCC(=O)NC1=NC=C(C=C1)C2CCCN2C

InChI

InChI=1S/C22H36N4O3/c1-22(2,3)29-21(28)23-14-8-6-5-7-11-20(27)25-19-13-12-17(16-24-19)18-10-9-15-26(18)4/h12-13,16,18H,5-11,14-15H2,1-4H3,(H,23,28)(H,24,25,27)