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

Systemtic Name: N-cyclohexyl-N-[2-[cyclopropyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropyl-amino]-2-oxo-ethyl]-N-cyclohexyl-propanamide CAS Name: N-cyclohexyl-N-[2-[cyclopropyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-2-oxoethyl]propanamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-cyclohexylpropanamide Traditional Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropyl-amino]-2-keto-ethyl]-N-cyclohexyl-propionamide Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CC3)C4CCCCC4

Isomeric SMILES

CCC(=O)N(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CC3)C4CCCCC4

InChI

InChI=1S/C26H35N3O2/c1-2-25(30)29(22-12-7-4-8-13-22)20-26(31)28(23-15-16-23)19-24-14-9-17-27(24)18-21-10-5-3-6-11-21/h3,5-6,9-11,14,17,22-23H,2,4,7-8,12-13,15-16,18-20H2,1H3