(E)-N-[6-[4-(2-oxidanylpropyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[6-[4-(2-oxidanylpropyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-phenyl-acrylamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C=CC3=CC=CC=C3)O

Isomeric SMILES

CC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C22H28N4O2/c1-18(27)17-25-12-5-13-26(15-14-25)21-10-9-20(16-23-21)24-22(28)11-8-19-6-3-2-4-7-19/h2-4,6-11,16,18,27H,5,12-15,17H2,1H3,(H,24,28)/b11-8+