N-[[(3S)-1-ethyl-5-oxidanylidene-pyrrolidin-3-yl]methyl]-2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazole-4-carboxamide

Systemtic Name: N-[[(3S)-1-ethyl-5-oxidanylidene-pyrrolidin-3-yl]methyl]-2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazole-4-carboxamide Openeye Name: 3-benzyl-N-[[(3S)-1-ethyl-5-oxo-pyrrolidin-3-yl]methyl]-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide CAS Name: N-[[(3S)-1-ethyl-5-oxo-3-pyrrolidinyl]methyl]-2-methyl-6-[(2-methyl-1-oxopropyl)amino]-3-(phenylmethyl)-4-benzimidazolecarboxamide IUPAC Name: 3-benzyl-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide Traditional Name: 3-benzyl-N-[[(3S)-1-ethyl-5-keto-pyrrolidin-3-yl]methyl]-6-(isobutyrylamino)-2-methyl-benzimidazole-4-carboxamide Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(CC1=O)CNC(=O)C2=CC(=CC3=C2N(C(=N3)C)CC4=CC=CC=C4)NC(=O)C(C)C

Isomeric SMILES

CCN1C[C@@H](CC1=O)CNC(=O)C2=CC(=CC3=C2N(C(=N3)C)CC4=CC=CC=C4)NC(=O)C(C)C

InChI

InChI=1S/C27H33N5O3/c1-5-31-15-20(11-24(31)33)14-28-27(35)22-12-21(30-26(34)17(2)3)13-23-25(22)32(18(4)29-23)16-19-9-7-6-8-10-19/h6-10,12-13,17,20H,5,11,14-16H2,1-4H3,(H,28,35)(H,30,34)/t20-/m0/s1