N-[3-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-(1-imidazolylmethyl)phenyl]methylamino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-(imidazol-1-ylmethyl)benzyl]amino]-3-keto-propyl]adamantane-1-carboxamide Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NCC4=CC=CC=C4CN5C=CN=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NCC4=CC=CC=C4CN5C=CN=C5

InChI

InChI=1S/C25H32N4O2/c30-23(28-15-21-3-1-2-4-22(21)16-29-8-7-26-17-29)5-6-27-24(31)25-12-18-9-19(13-25)11-20(10-18)14-25/h1-4,7-8,17-20H,5-6,9-16H2,(H,27,31)(H,28,30)