N-[1-(3-imidazol-1-ylpropylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[1-(3-imidazol-1-ylpropylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[1-(3-imidazol-1-ylpropylcarbamoyl)-3-phenyl-propyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[1-[3-(1-imidazolyl)propylamino]-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide IUPAC Name: N-[1-(3-imidazol-1-ylpropylamino)-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[1-(3-imidazol-1-ylpropylcarbamoyl)-3-phenyl-propyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C29H29N7O2 MolecularWeight: 507.58626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)NCCCN2C=CN=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)NCCCN2C=CN=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=NC=C5

InChI

InChI=1S/C29H29N7O2/c37-28(23-8-10-24-26(19-23)34-27(33-24)22-11-14-30-15-12-22)35-25(9-7-21-5-2-1-3-6-21)29(38)32-13-4-17-36-18-16-31-20-36/h1-3,5-6,8,10-12,14-16,18-20,25H,4,7,9,13,17H2,(H,32,38)(H,33,34)(H,35,37)