3-methyl-N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide

Systemtic Name: 3-methyl-N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide Openeye Name: 3-methyl-N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-3-pyridyl]but-2-enamide CAS Name: 3-methyl-N-[6-[4-(2-methyl-1-oxopropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-butenamide IUPAC Name: 3-methyl-N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide Traditional Name: N-[6-(4-isobutyryl-1,4-diazepan-1-yl)-3-pyridyl]-3-methyl-but-2-enamide Formula: C19H28N4O2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C=C(C)C

Isomeric SMILES

CC(C)C(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C=C(C)C

InChI

InChI=1S/C19H28N4O2/c1-14(2)12-18(24)21-16-6-7-17(20-13-16)22-8-5-9-23(11-10-22)19(25)15(3)4/h6-7,12-13,15H,5,8-11H2,1-4H3,(H,21,24)