(phenylmethyl) 2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)OCC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC(=O)OCC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c29-23(30-19-20-8-3-1-4-9-20)18-28-13-7-12-27(14-15-28)17-22-16-25-26-24(22)21-10-5-2-6-11-21/h1-6,8-11,16H,7,12-15,17-19H2,(H,25,26)