N-tert-butyl-4-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide

Systemtic Name: N-tert-butyl-4-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide Openeye Name: N-tert-butyl-4-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide CAS Name: N-tert-butyl-4-butyl-N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]benzamide IUPAC Name: N-tert-butyl-4-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide Traditional Name: N-tert-butyl-4-butyl-N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]benzamide Formula: C27H33ClN2O MolecularWeight: 437.01672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C(C)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C(C)(C)C

InChI

InChI=1S/C27H33ClN2O/c1-5-6-9-21-13-15-23(16-14-21)26(31)30(27(2,3)4)20-25-12-8-17-29(25)19-22-10-7-11-24(28)18-22/h7-8,10-18H,5-6,9,19-20H2,1-4H3