2-[butan-2-yl(ethylcarbamoyl)amino]-N-cyclohexyl-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]ethanamide

Systemtic Name: 2-[butan-2-yl(ethylcarbamoyl)amino]-N-cyclohexyl-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]ethanamide Openeye Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(sec-butyl)amino]acetamide CAS Name: 2-[butan-2-yl(ethylcarbamoyl)amino]-N-cyclohexyl-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]acetamide IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-2-[butan-2-yl(ethylcarbamoyl)amino]-N-cyclohexylacetamide Traditional Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclohexyl-2-[ethylcarbamoyl(sec-butyl)amino]acetamide Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)C(=O)NCC

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)C(=O)NCC

InChI

InChI=1S/C27H40N4O2/c1-4-22(3)30(27(33)28-5-2)21-26(32)31(24-15-10-7-11-16-24)20-25-17-12-18-29(25)19-23-13-8-6-9-14-23/h6,8-9,12-14,17-18,22,24H,4-5,7,10-11,15-16,19-21H2,1-3H3,(H,28,33)