1-[4-[6-(propan-2-ylamino)pyridin-3-yl]carbonyl-1,4-diazepan-1-yl]pent-4-en-1-one

Systemtic Name: 1-[4-[6-(propan-2-ylamino)pyridin-3-yl]carbonyl-1,4-diazepan-1-yl]pent-4-en-1-one Openeye Name: 1-[4-[6-(isopropylamino)pyridine-3-carbonyl]-1,4-diazepan-1-yl]pent-4-en-1-one CAS Name: 1-[4-[oxo-[6-(propan-2-ylamino)-3-pyridinyl]methyl]-1,4-diazepan-1-yl]-4-penten-1-one IUPAC Name: 1-[4-[6-(propan-2-ylamino)pyridine-3-carbonyl]-1,4-diazepan-1-yl]pent-4-en-1-one Traditional Name: 1-[4-[6-(isopropylamino)nicotinoyl]-1,4-diazepan-1-yl]pent-4-en-1-one Formula: C19H28N4O2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)CCC=C

Isomeric SMILES

CC(C)NC1=NC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)CCC=C

InChI

InChI=1S/C19H28N4O2/c1-4-5-7-18(24)22-10-6-11-23(13-12-22)19(25)16-8-9-17(20-14-16)21-15(2)3/h4,8-9,14-15H,1,5-7,10-13H2,2-3H3,(H,20,21)