N-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-3-(aminomethyl)-N-phenyl-benzamide

Systemtic Name: N-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-3-(aminomethyl)-N-phenyl-benzamide Openeye Name: N-[2-(1-adamantylamino)-2-oxo-ethyl]-3-(aminomethyl)-N-phenyl-benzamide CAS Name: N-[2-(1-adamantylamino)-2-oxoethyl]-3-(aminomethyl)-N-phenylbenzamide IUPAC Name: N-[2-(1-adamantylamino)-2-oxoethyl]-3-(aminomethyl)-N-phenylbenzamide Traditional Name: N-[2-(1-adamantylamino)-2-keto-ethyl]-3-(aminomethyl)-N-phenyl-benzamide Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CN(C4=CC=CC=C4)C(=O)C5=CC(=CC=C5)CN

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CN(C4=CC=CC=C4)C(=O)C5=CC(=CC=C5)CN

InChI

InChI=1S/C26H31N3O2/c27-16-18-5-4-6-22(12-18)25(31)29(23-7-2-1-3-8-23)17-24(30)28-26-13-19-9-20(14-26)11-21(10-19)15-26/h1-8,12,19-21H,9-11,13-17,27H2,(H,28,30)