N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide

Systemtic Name: N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide Openeye Name: N-[(1R)-1,2-dimethylpropyl]-N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-3-nitro-benzamide CAS Name: N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzamide IUPAC Name: N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-[(1R)-1,2-dimethylpropyl]-N-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2CN(C(C)C(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2CN([C@H](C)C(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O3/c1-18(2)20(4)27(25(29)22-10-6-11-23(15-22)28(30)31)17-24-12-7-13-26(24)16-21-9-5-8-19(3)14-21/h5-15,18,20H,16-17H2,1-4H3/t20-/m1/s1