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

Systemtic Name: N-butan-2-yl-N-[2-[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]-4-ethyl-benzamide Openeye Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]-2-oxo-ethyl]-4-ethyl-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-N-[2-[cyclohexyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-2-oxoethyl]-4-ethylbenzamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-4-ethylbenzamide Traditional Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]-2-keto-ethyl]-4-ethyl-N-sec-butyl-benzamide Formula: C33H43N3O2 MolecularWeight: 513.71342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC(=O)N(CC2=CC=CN2CC3=CC=CC=C3)C4CCCCC4)C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC(=O)N(CC2=CC=CN2CC3=CC=CC=C3)C4CCCCC4)C(C)CC

InChI

InChI=1S/C33H43N3O2/c1-4-26(3)35(33(38)29-20-18-27(5-2)19-21-29)25-32(37)36(30-15-10-7-11-16-30)24-31-17-12-22-34(31)23-28-13-8-6-9-14-28/h6,8-9,12-14,17-22,26,30H,4-5,7,10-11,15-16,23-25H2,1-3H3