N-[[(3Z)-3-[azanyl-(hexoxyamino)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[[(3Z)-3-[azanyl-(hexoxyamino)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[[(3Z)-3-[amino-(hexoxyamino)methylene]-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[[(3Z)-3-[amino-(hexoxyamino)methylidene]-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-3-methyl-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[[(3Z)-3-[amino-(hexoxyamino)methylidene]-6-oxocyclohexa-1,4-dien-1-yl]methyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[[(3Z)-3-[amino-(hexoxyamino)methylene]-6-keto-cyclohexa-1,4-dien-1-yl]methyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCONC(=C1C=CC(=O)C(=C1)CNC(=O)C2=CC(=C(C=C2)C(=O)N3CCCC3)C)N

Isomeric SMILES

CCCCCCON/C(=C\1/C=CC(=O)C(=C1)CNC(=O)C2=CC(=C(C=C2)C(=O)N3CCCC3)C)/N

InChI

InChI=1S/C27H36N4O4/c1-3-4-5-8-15-35-30-25(28)20-10-12-24(32)22(17-20)18-29-26(33)21-9-11-23(19(2)16-21)27(34)31-13-6-7-14-31/h9-12,16-17,30H,3-8,13-15,18,28H2,1-2H3,(H,29,33)/b25-20-