4-[[4-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]-5-phenoxy-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-[[4-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]-5-phenoxy-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-[4-(4-ethylpiperazine-1-carbonyl)anilino]-5-phenoxy-pyridazin-3-one CAS Name: 4-[4-[(4-ethyl-1-piperazinyl)-oxomethyl]anilino]-5-phenoxy-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-[4-(4-ethylpiperazine-1-carbonyl)anilino]-5-phenoxypyridazin-3-one Traditional Name: 2-benzyl-4-[4-(4-ethylpiperazine-1-carbonyl)anilino]-5-phenoxy-pyridazin-3-one Formula: C30H31N5O3 MolecularWeight: 509.59884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=C(C=NN(C3=O)CC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=C(C=NN(C3=O)CC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H31N5O3/c1-2-33-17-19-34(20-18-33)29(36)24-13-15-25(16-14-24)32-28-27(38-26-11-7-4-8-12-26)21-31-35(30(28)37)22-23-9-5-3-6-10-23/h3-16,21,32H,2,17-20,22H2,1H3