N-[1-[3-[ethyl(phenyl)amino]propylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[3-[ethyl(phenyl)amino]propylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[3-(N-ethylanilino)propylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[3-(N-ethylanilino)propylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[3-(N-ethylanilino)propylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[3-(N-ethylanilino)propylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C27H41N3O2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C(C(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

Isomeric SMILES

CCN(CCCNC(=O)C(C(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

InChI

InChI=1S/C27H41N3O2/c1-4-30(23-9-6-5-7-10-23)12-8-11-28-25(31)24(19(2)3)29-26(32)27-16-20-13-21(17-27)15-22(14-20)18-27/h5-7,9-10,19-22,24H,4,8,11-18H2,1-3H3,(H,28,31)(H,29,32)