tert-butyl N-[7-[[5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]amino]-7-oxidanylidene-heptyl]carbamate

Systemtic Name: tert-butyl N-[7-[[5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]amino]-7-oxidanylidene-heptyl]carbamate Openeye Name: tert-butyl N-[7-[[5-(1-methylpyrrolidin-2-yl)-3-pyridyl]amino]-7-oxo-heptyl]carbamate CAS Name: N-[7-[[5-(1-methyl-2-pyrrolidinyl)-3-pyridinyl]amino]-7-oxoheptyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-[[5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]amino]-7-oxoheptyl]carbamate Traditional Name: N-[7-keto-7-[[5-(1-methylpyrrolidin-2-yl)-3-pyridyl]amino]heptyl]carbamic acid tert-butyl ester Formula: C22H36N4O3 MolecularWeight: 404.54624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O3/c1-22(2,3)29-21(28)24-12-8-6-5-7-11-20(27)25-18-14-17(15-23-16-18)19-10-9-13-26(19)4/h14-16,19H,5-13H2,1-4H3,(H,24,28)(H,25,27)