(E)-2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]carbonyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]carbonyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazine-1-carbonyl]-3-(4-isopropylphenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]-oxomethyl]-3-(4-propan-2-ylphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazine-1-carbonyl]-3-(4-propan-2-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazine-1-carbonyl]-3-p-cumenyl-acrylonitrile Formula: C27H26ClN5O2 MolecularWeight: 487.98064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H26ClN5O2/c1-19(2)21-10-8-20(9-11-21)16-22(17-29)26(34)32-14-12-31(13-15-32)24-18-30-33(27(35)25(24)28)23-6-4-3-5-7-23/h3-11,16,18-19H,12-15H2,1-2H3/b22-16+