N-[6-[4-(2-methyl-1-oxidanyl-but-3-en-2-yl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[6-[4-(2-methyl-1-oxidanyl-but-3-en-2-yl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenyl-ethanamide Openeye Name: N-[6-[4-[1-(hydroxymethyl)-1-methyl-allyl]-1,4-diazepan-1-yl]-3-pyridyl]-2-phenyl-acetamide CAS Name: N-[6-[4-(1-hydroxy-2-methylbut-3-en-2-yl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide IUPAC Name: N-[6-[4-(1-hydroxy-2-methylbut-3-en-2-yl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenylacetamide Traditional Name: N-[6-[4-(1-methyl-1-methylol-allyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-phenyl-acetamide Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C=C)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(CO)(C=C)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c1-3-23(2,18-28)27-13-7-12-26(14-15-27)21-11-10-20(17-24-21)25-22(29)16-19-8-5-4-6-9-19/h3-6,8-11,17,28H,1,7,12-16,18H2,2H3,(H,25,29)