3-[1-[5-(4-tert-butylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one

Systemtic Name: 3-[1-[5-(4-tert-butylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Openeye Name: 3-[1-[5-(4-tert-butylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one CAS Name: 3-[1-[5-[(4-tert-butylphenyl)-oxomethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one IUPAC Name: 3-[1-[5-(4-tert-butylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Traditional Name: 3-[1-[5-(4-tert-butylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NNC(=O)C=C1)C2=CC=C(N2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C1=NNC(=O)C=C1)C2=CC=C(N2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H23N3O2/c1-13(17-11-12-19(25)24-23-17)16-9-10-18(22-16)20(26)14-5-7-15(8-6-14)21(2,3)4/h5-13,22H,1-4H3,(H,24,25)