N-butan-2-yl-N-[2-[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]cyclopropanecarboxamide

Systemtic Name: N-butan-2-yl-N-[2-[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]cyclopropanecarboxamide Openeye Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-sec-butyl-cyclopropanecarboxamide CAS Name: N-butan-2-yl-N-[2-[cyclohexyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-2-oxoethyl]cyclopropanecarboxamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-ylcyclopropanecarboxamide Traditional Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]-2-keto-ethyl]-N-sec-butyl-cyclopropanecarboxamide Formula: C28H39N3O2 MolecularWeight: 449.62816

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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)C4CC4

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)C(=O)C4CC4

InChI

InChI=1S/C28H39N3O2/c1-3-22(2)30(28(33)24-16-17-24)21-27(32)31(25-13-8-5-9-14-25)20-26-15-10-18-29(26)19-23-11-6-4-7-12-23/h4,6-7,10-12,15,18,22,24-25H,3,5,8-9,13-14,16-17,19-21H2,1-2H3