N-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-3-carbamimidoyl-N-phenyl-benzamide

Systemtic Name: N-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-3-carbamimidoyl-N-phenyl-benzamide Openeye Name: N-[2-(1-adamantylmethylamino)-2-oxo-ethyl]-3-carbamimidoyl-N-phenyl-benzamide CAS Name: N-[2-(1-adamantylmethylamino)-2-oxoethyl]-3-carbamimidoyl-N-phenylbenzamide IUPAC Name: N-[2-(1-adamantylmethylamino)-2-oxoethyl]-3-carbamimidoyl-N-phenylbenzamide Traditional Name: N-[2-(1-adamantylmethylamino)-2-keto-ethyl]-3-amidino-N-phenyl-benzamide Formula: C27H32N4O2 MolecularWeight: 444.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O2/c28-25(29)21-5-4-6-22(12-21)26(33)31(23-7-2-1-3-8-23)16-24(32)30-17-27-13-18-9-19(14-27)11-20(10-18)15-27/h1-8,12,18-20H,9-11,13-17H2,(H3,28,29)(H,30,32)