4-[(4-methoxyphenyl)methyl]-1-(2-methyl-5-propyl-pyrazol-3-yl)carbonyl-1,4-diazepan-5-one

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-1-(2-methyl-5-propyl-pyrazol-3-yl)carbonyl-1,4-diazepan-5-one Openeye Name: 4-[(4-methoxyphenyl)methyl]-1-(2-methyl-5-propyl-pyrazole-3-carbonyl)-1,4-diazepan-5-one CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[(2-methyl-5-propyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-5-one IUPAC Name: 4-[(4-methoxyphenyl)methyl]-1-(2-methyl-5-propylpyrazole-3-carbonyl)-1,4-diazepan-5-one Traditional Name: 1-(2-methyl-5-propyl-pyrazole-3-carbonyl)-4-p-anisyl-1,4-diazepan-5-one Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)N2CCC(=O)N(CC2)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)N2CCC(=O)N(CC2)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H28N4O3/c1-4-5-17-14-19(23(2)22-17)21(27)24-11-10-20(26)25(13-12-24)15-16-6-8-18(28-3)9-7-16/h6-9,14H,4-5,10-13,15H2,1-3H3