N-(1-adamantyl)-2-oxidanylidene-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-ium-4-carboxamide

Systemtic Name: N-(1-adamantyl)-2-oxidanylidene-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-ium-4-carboxamide Openeye Name: N-(1-adamantyl)-1-isopropyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-4-ium-4-carboxamide CAS Name: N-(1-adamantyl)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-ium-4-carboxamide IUPAC Name: N-(1-adamantyl)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-ium-4-carboxamide Traditional Name: N-(1-adamantyl)-1-isopropyl-2-keto-5-phenyl-3H-1,4-benzodiazepin-4-ium-4-carboxamide Formula: C29H34N3O2+ MolecularWeight: 456.59916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C[N+](=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)N1C(=O)C[N+](=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H33N3O2/c1-19(2)32-25-11-7-6-10-24(25)27(23-8-4-3-5-9-23)31(18-26(32)33)28(34)30-29-15-20-12-21(16-29)14-22(13-20)17-29/h3-11,19-22H,12-18H2,1-2H3/p+1