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

Systemtic Name: N-cyclohexyl-N-[2-[cyclopropyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]butanamide Openeye Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropyl-amino]-2-oxo-ethyl]-N-cyclohexyl-butanamide CAS Name: N-cyclohexyl-N-[2-[cyclopropyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-2-oxoethyl]butanamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-cyclohexylbutanamide Traditional Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropyl-amino]-2-keto-ethyl]-N-cyclohexyl-butyramide Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O2/c1-2-10-26(31)30(23-13-7-4-8-14-23)21-27(32)29(24-16-17-24)20-25-15-9-18-28(25)19-22-11-5-3-6-12-22/h3,5-6,9,11-12,15,18,23-24H,2,4,7-8,10,13-14,16-17,19-21H2,1H3