N-(1-adamantyl)-2-[4-[(4-nitrophenyl)carbonylamino]phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(1-adamantyl)-2-[4-[(4-nitrophenyl)carbonylamino]phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-(1-adamantyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide CAS Name: N-(1-adamantyl)-2-[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-(1-adamantyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-(1-adamantyl)-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide Formula: C31H29N5O4 MolecularWeight: 535.59306

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)NC(=O)C7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)NC(=O)C7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C31H29N5O4/c37-29(22-3-8-25(9-4-22)36(39)40)32-24-6-1-21(2-7-24)28-33-26-10-5-23(14-27(26)34-28)30(38)35-31-15-18-11-19(16-31)13-20(12-18)17-31/h1-10,14,18-20H,11-13,15-17H2,(H,32,37)(H,33,34)(H,35,38)