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

Systemtic Name: N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-ethyl-4-nitro-benzamide Openeye Name: N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-ethyl-4-nitro-benzamide CAS Name: N-[2-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-ethyl-4-nitrobenzamide IUPAC Name: N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-ethyl-4-nitrobenzamide Traditional Name: N-[2-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-N-ethyl-4-nitro-benzamide Formula: C29H33ClN4O4 MolecularWeight: 537.04972

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2Cl)C3CCCCC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2Cl)C3CCCCC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H33ClN4O4/c1-2-31(29(36)22-14-16-25(17-15-22)34(37)38)21-28(35)33(24-10-4-3-5-11-24)20-26-12-8-18-32(26)19-23-9-6-7-13-27(23)30/h6-9,12-18,24H,2-5,10-11,19-21H2,1H3