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

Systemtic Name: N-butyl-N-[2-[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]-2-methyl-propanamide Openeye Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-butyl-2-methyl-propanamide CAS Name: N-butyl-N-[2-[cyclohexyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-2-oxoethyl]-2-methylpropanamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-butyl-2-methylpropanamide Traditional Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]-2-keto-ethyl]-N-butyl-2-methyl-propionamide Formula: C28H41N3O2 MolecularWeight: 451.64404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)C(=O)C(C)C

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)C(=O)C(C)C

InChI

InChI=1S/C28H41N3O2/c1-4-5-18-30(28(33)23(2)3)22-27(32)31(25-15-10-7-11-16-25)21-26-17-12-19-29(26)20-24-13-8-6-9-14-24/h6,8-9,12-14,17,19,23,25H,4-5,7,10-11,15-16,18,20-22H2,1-3H3