3-[[cyano-(3-phenoxyphenyl)methyl]carbamoyl]-2-(3-phenylpropanoyl)-1,2-diazinane-1-carboxylate

Systemtic Name: 3-[[cyano-(3-phenoxyphenyl)methyl]carbamoyl]-2-(3-phenylpropanoyl)-1,2-diazinane-1-carboxylate Openeye Name: 3-[[cyano-(3-phenoxyphenyl)methyl]carbamoyl]-2-(3-phenylpropanoyl)hexahydropyridazine-1-carboxylate CAS Name: 3-[[[cyano-(3-phenoxyphenyl)methyl]amino]-oxomethyl]-2-(1-oxo-3-phenylpropyl)-1-diazinanecarboxylate IUPAC Name: 3-[[cyano-(3-phenoxyphenyl)methyl]carbamoyl]-2-(3-phenylpropanoyl)diazinane-1-carboxylate Traditional Name: 3-[[cyano-(3-phenoxyphenyl)methyl]carbamoyl]-2-hydrocinnamoyl-hexahydropyridazine-1-carboxylate Formula: C29H27N4O5- MolecularWeight: 511.54848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(N(C1)C(=O)[O-])C(=O)CCC2=CC=CC=C2)C(=O)NC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC(N(N(C1)C(=O)[O-])C(=O)CCC2=CC=CC=C2)C(=O)NC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H28N4O5/c30-20-25(22-11-7-14-24(19-22)38-23-12-5-2-6-13-23)31-28(35)26-15-8-18-32(29(36)37)33(26)27(34)17-16-21-9-3-1-4-10-21/h1-7,9-14,19,25-26H,8,15-18H2,(H,31,35)(H,36,37)/p-1