(2Z)-2-[4-(1-adamantylcarbonylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-N-pyridin-2-yl-1,3-dihydrobenzimidazole-5-carboxamide

Systemtic Name: (2Z)-2-[4-(1-adamantylcarbonylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-N-pyridin-2-yl-1,3-dihydrobenzimidazole-5-carboxamide Openeye Name: (2Z)-2-[4-(adamantane-1-carbonylamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-N-(2-pyridyl)-1,3-dihydrobenzimidazole-5-carboxamide CAS Name: (2Z)-2-[4-[[1-adamantyl(oxo)methyl]amino]-6-oxo-1-cyclohexa-2,4-dienylidene]-N-(2-pyridinyl)-1,3-dihydrobenzimidazole-5-carboxamide IUPAC Name: (2Z)-2-[4-(adamantane-1-carbonylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]-N-pyridin-2-yl-1,3-dihydrobenzimidazole-5-carboxamide Traditional Name: (2Z)-2-[4-(adamantane-1-carbonylamino)-6-keto-cyclohexa-2,4-dien-1-ylidene]-N-(2-pyridyl)-1,3-dihydrobenzimidazole-5-carboxamide Formula: C30H29N5O3 MolecularWeight: 507.58296

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=O)C(=C5NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7)C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=O)/C(=C\5/NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7)/C=C4

InChI

InChI=1S/C30H29N5O3/c36-25-13-21(32-29(38)30-14-17-9-18(15-30)11-19(10-17)16-30)5-6-22(25)27-33-23-7-4-20(12-24(23)34-27)28(37)35-26-3-1-2-8-31-26/h1-8,12-13,17-19,33-34H,9-11,14-16H2,(H,32,38)(H,31,35,37)/b27-22-