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

Systemtic Name: 2-[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[[(3-cyanoanilino)-oxomethyl]-cyclopropylamino]-N-[(1-methyl-2-pyrrolyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-cyclopropylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(C3CC3)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(C3CC3)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H27N5O2/c1-29-14-6-11-24(29)18-30(17-20-7-3-2-4-8-20)25(32)19-31(23-12-13-23)26(33)28-22-10-5-9-21(15-22)16-27/h2-11,14-15,23H,12-13,17-19H2,1H3,(H,28,33)