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

Systemtic Name: 3-methyl-N-[6-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide Openeye Name: 3-methyl-N-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-3-pyridyl]but-2-enamide CAS Name: 3-methyl-N-[6-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-butenamide IUPAC Name: 3-methyl-N-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide Traditional Name: 3-methyl-N-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-3-pyridyl]but-2-enamide Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC(=CC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H28N4O2/c1-18(2)15-22(28)25-20-9-10-21(24-17-20)26-11-6-12-27(14-13-26)23(29)16-19-7-4-3-5-8-19/h3-5,7-10,15,17H,6,11-14,16H2,1-2H3,(H,25,28)