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

Systemtic Name: (phenylmethyl) 2-[4-(1-phenyl-5-propyl-pyrazol-4-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(1-phenyl-5-propyl-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[oxo-(1-phenyl-5-propyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(1-phenyl-5-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(1-phenyl-5-propyl-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c1-2-10-25-24(19-28-31(25)23-13-7-4-8-14-23)27(33)30-16-9-15-29(17-18-30)20-26(32)34-21-22-11-5-3-6-12-22/h3-8,11-14,19H,2,9-10,15-18,20-21H2,1H3