2-[(3-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: 2-[(3-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: 2-[(3-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[[(3-cyanoanilino)-oxomethyl]-cyclohexylamino]-N-(2-methylpropyl)-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: 2-[(3-cyanophenyl)carbamoyl-cyclohexylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[(3-cyanophenyl)carbamoyl-cyclohexyl-amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CN1C)C(=O)CN(C2CCCCC2)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)CN(CC1=CC=CN1C)C(=O)CN(C2CCCCC2)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C26H35N5O2/c1-20(2)17-30(18-24-13-8-14-29(24)3)25(32)19-31(23-11-5-4-6-12-23)26(33)28-22-10-7-9-21(15-22)16-27/h7-10,13-15,20,23H,4-6,11-12,17-19H2,1-3H3,(H,28,33)