6-[(3-methoxyphenyl)methoxy]-1-(2-methylpropyl)-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 6-[(3-methoxyphenyl)methoxy]-1-(2-methylpropyl)-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-6-[(3-methoxyphenyl)methoxy]-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one CAS Name: 6-[(3-methoxyphenyl)methoxy]-1-(2-methylpropyl)-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-[(3-methoxyphenyl)methoxy]-1-(2-methylpropyl)-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-6-m-anisyloxy-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)CC2=CC=NN2)OCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)CC2=CC=NN2)OCC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H30N4O3/c1-16(2)10-25-13-20(28-15-17-5-4-6-19(9-17)27-3)12-24(14-21(25)26)11-18-7-8-22-23-18/h4-9,16,20H,10-15H2,1-3H3,(H,22,23)