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

Systemtic Name: 4-chloranyl-5-[3-chloranylpropyl-(phenylmethyl)amino]-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one Openeye Name: 5-[benzyl(3-chloropropyl)amino]-4-chloro-2-[(E)-cinnamyl]pyridazin-3-one CAS Name: 4-chloro-5-[3-chloropropyl-(phenylmethyl)amino]-2-[(E)-3-phenylprop-2-enyl]-3-pyridazinone IUPAC Name: 5-[benzyl(3-chloropropyl)amino]-4-chloro-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one Traditional Name: 5-[benzyl(3-chloropropyl)amino]-4-chloro-2-[(E)-cinnamyl]pyridazin-3-one Formula: C23H23Cl2N3O MolecularWeight: 428.35422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2N3O/c24-14-8-15-27(18-20-11-5-2-6-12-20)21-17-26-28(23(29)22(21)25)16-7-13-19-9-3-1-4-10-19/h1-7,9-13,17H,8,14-16,18H2/b13-7+