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

Systemtic Name: N-butyl-N-[2-[cyclopropyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]cyclohexanecarboxamide Openeye Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropyl-amino]-2-oxo-ethyl]-N-butyl-cyclohexanecarboxamide CAS Name: N-butyl-N-[2-[cyclopropyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-2-oxoethyl]cyclohexanecarboxamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-butylcyclohexanecarboxamide Traditional Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropyl-amino]-2-keto-ethyl]-N-butyl-cyclohexanecarboxamide Formula: C28H39N3O2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CC3)C(=O)C4CCCCC4

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CC3)C(=O)C4CCCCC4

InChI

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