4-chloranyl-5-[3-oxidanylpropyl-(phenylmethyl)amino]-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[3-oxidanylpropyl-(phenylmethyl)amino]-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one Openeye Name: 5-[benzyl(3-hydroxypropyl)amino]-4-chloro-2-[(E)-cinnamyl]pyridazin-3-one CAS Name: 4-chloro-5-[3-hydroxypropyl-(phenylmethyl)amino]-2-[(E)-3-phenylprop-2-enyl]-3-pyridazinone IUPAC Name: 5-[benzyl(3-hydroxypropyl)amino]-4-chloro-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one Traditional Name: 5-[benzyl(3-hydroxypropyl)amino]-4-chloro-2-[(E)-cinnamyl]pyridazin-3-one Formula: C23H24ClN3O2 MolecularWeight: 409.90856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCO)C2=C(C(=O)N(N=C2)CC=CC3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCO)C2=C(C(=O)N(N=C2)C/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H24ClN3O2/c24-22-21(26(14-8-16-28)18-20-11-5-2-6-12-20)17-25-27(23(22)29)15-7-13-19-9-3-1-4-10-19/h1-7,9-13,17,28H,8,14-16,18H2/b13-7+