N-[2-[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide

Systemtic Name: N-[2-[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide Openeye Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide CAS Name: N-[2-[cyclohexyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-1-adamantanecarboxamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide Traditional Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]-2-keto-ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide Formula: C34H47N3O3 MolecularWeight: 545.75528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C34H47N3O3/c1-40-16-15-36(33(39)34-20-27-17-28(21-34)19-29(18-27)22-34)25-32(38)37(30-11-6-3-7-12-30)24-31-13-8-14-35(31)23-26-9-4-2-5-10-26/h2,4-5,8-10,13-14,27-30H,3,6-7,11-12,15-25H2,1H3