N-(1-adamantylmethyl)-1,4-benzodiazepine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1,4-benzodiazepine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-1,4-benzodiazepine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-1,4-benzodiazepine-4-carboxamide IUPAC Name: N-(1-adamantylmethyl)-1,4-benzodiazepine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-1,4-benzodiazepine-4-carboxamide Formula: C21H25N3O MolecularWeight: 335.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)N4C=CN=C5C=CC=CC5=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)N4C=CN=C5C=CC=CC5=C4

InChI

InChI=1S/C21H25N3O/c25-20(24-6-5-22-19-4-2-1-3-18(19)13-24)23-14-21-10-15-7-16(11-21)9-17(8-15)12-21/h1-6,13,15-17H,7-12,14H2,(H,23,25)