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

Systemtic Name: 1-(2-methyl-5-propyl-pyrazol-3-yl)carbonyl-4-(2-phenoxyethyl)-1,4-diazepan-5-one Openeye Name: 1-(2-methyl-5-propyl-pyrazole-3-carbonyl)-4-(2-phenoxyethyl)-1,4-diazepan-5-one CAS Name: 1-[(2-methyl-5-propyl-3-pyrazolyl)-oxomethyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one IUPAC Name: 1-(2-methyl-5-propylpyrazole-3-carbonyl)-4-(2-phenoxyethyl)-1,4-diazepan-5-one Traditional Name: 1-(2-methyl-5-propyl-pyrazole-3-carbonyl)-4-(2-phenoxyethyl)-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)CCOC3=CC=CC=C3)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)N2CCC(=O)N(CC2)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4O3/c1-3-7-17-16-19(23(2)22-17)21(27)25-11-10-20(26)24(12-13-25)14-15-28-18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15H2,1-2H3