3-[5-azanyl-4-[3-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethoxy]phenyl]carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[5-azanyl-4-[3-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethoxy]phenyl]carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[5-amino-4-[3-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxo-ethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[5-amino-4-[[3-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethoxy]phenyl]-oxomethyl]-1-pyrazolyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[5-amino-4-[3-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[5-amino-4-[3-[2-(1H-benzimidazol-2-ylmethylamino)-2-keto-ethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C31H29N7O4 MolecularWeight: 563.60646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)OCC(=O)NCC5=NC6=CC=CC=C6N5)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)OCC(=O)NCC5=NC6=CC=CC=C6N5)N

InChI

InChI=1S/C31H29N7O4/c1-18-9-10-20(31(41)35-21-11-12-21)14-26(18)38-30(32)23(15-34-38)29(40)19-5-4-6-22(13-19)42-17-28(39)33-16-27-36-24-7-2-3-8-25(24)37-27/h2-10,13-15,21H,11-12,16-17,32H2,1H3,(H,33,39)(H,35,41)(H,36,37)