1-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]-N-cyclohexyl-N-ethyl-2-(pyridin-3-ylcarbonylamino)benzimidazole-5-carboxamide

Systemtic Name: 1-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]-N-cyclohexyl-N-ethyl-2-(pyridin-3-ylcarbonylamino)benzimidazole-5-carboxamide Openeye Name: N-cyclohexyl-1-[(2S)-2,3-diamino-3-oxo-propyl]-N-ethyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide CAS Name: N-cyclohexyl-1-[(2S)-2,3-diamino-3-oxopropyl]-N-ethyl-2-[[oxo(3-pyridinyl)methyl]amino]-5-benzimidazolecarboxamide IUPAC Name: N-cyclohexyl-1-[(2S)-2,3-diamino-3-oxopropyl]-N-ethyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide Traditional Name: N-cyclohexyl-1-[(2S)-2,3-diamino-3-keto-propyl]-N-ethyl-2-nicotinamido-benzimidazole-5-carboxamide Formula: C25H31N7O3 MolecularWeight: 477.55874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CN=CC=C4)CC(C(=O)N)N

Isomeric SMILES

CCN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CN=CC=C4)C[C@@H](C(=O)N)N

InChI

InChI=1S/C25H31N7O3/c1-2-31(18-8-4-3-5-9-18)24(35)16-10-11-21-20(13-16)29-25(32(21)15-19(26)22(27)33)30-23(34)17-7-6-12-28-14-17/h6-7,10-14,18-19H,2-5,8-9,15,26H2,1H3,(H2,27,33)(H,29,30,34)/t19-/m0/s1