N-butyl-N-[2-[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-butyl-N-[2-[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-butyl-4-fluoro-benzamide CAS Name: N-butyl-N-[2-[cyclohexyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-butyl-4-fluorobenzamide Traditional Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]-2-keto-ethyl]-N-butyl-4-fluoro-benzamide Formula: C31H38FN3O2 MolecularWeight: 503.650723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C31H38FN3O2/c1-2-3-20-34(31(37)26-16-18-27(32)19-17-26)24-30(36)35(28-13-8-5-9-14-28)23-29-15-10-21-33(29)22-25-11-6-4-7-12-25/h4,6-7,10-12,15-19,21,28H,2-3,5,8-9,13-14,20,22-24H2,1H3