(phenylmethyl) 2-[4-(1H-indazol-3-ylcarbonyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(1H-indazol-3-ylcarbonyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[1H-indazol-3-yl(oxo)methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NNC3=CC=CC=C32)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NNC3=CC=CC=C32)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3/c27-20(29-16-17-7-2-1-3-8-17)15-25-11-6-12-26(14-13-25)22(28)21-18-9-4-5-10-19(18)23-24-21/h1-5,7-10H,6,11-16H2,(H,23,24)