tert-butyl 4-[3-(propan-2-ylamino)pyridin-2-yl]-5H-1,4-diazepine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(propan-2-ylamino)pyridin-2-yl]-5H-1,4-diazepine-1-carboxylate Openeye Name: tert-butyl 4-[3-(isopropylamino)-2-pyridyl]-5H-1,4-diazepine-1-carboxylate CAS Name: 4-[3-(propan-2-ylamino)-2-pyridinyl]-5H-1,4-diazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(propan-2-ylamino)pyridin-2-yl]-5H-1,4-diazepine-1-carboxylate Traditional Name: 4-[3-(isopropylamino)-2-pyridyl]-5H-1,4-diazepine-1-carboxylic acid tert-butyl ester Formula: C18H26N4O2 MolecularWeight: 330.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(N=CC=C1)N2CC=CN(C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)NC1=C(N=CC=C1)N2CC=CN(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H26N4O2/c1-14(2)20-15-8-6-9-19-16(15)21-10-7-11-22(13-12-21)17(23)24-18(3,4)5/h6-9,11-14,20H,10H2,1-5H3