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

Systemtic Name: 1-(5-ethyl-2-methyl-pyrazol-3-yl)carbonyl-4-(2-phenoxyethyl)-1,4-diazepan-5-one Openeye Name: 1-(5-ethyl-2-methyl-pyrazole-3-carbonyl)-4-(2-phenoxyethyl)-1,4-diazepan-5-one CAS Name: 1-[(5-ethyl-2-methyl-3-pyrazolyl)-oxomethyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one IUPAC Name: 1-(5-ethyl-2-methylpyrazole-3-carbonyl)-4-(2-phenoxyethyl)-1,4-diazepan-5-one Traditional Name: 1-(5-ethyl-2-methyl-pyrazole-3-carbonyl)-4-(2-phenoxyethyl)-1,4-diazepan-5-one Formula: C20H26N4O3 MolecularWeight: 370.44544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)N2CCC(=O)N(CC2)CCOC3=CC=CC=C3)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)N2CCC(=O)N(CC2)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C20H26N4O3/c1-3-16-15-18(22(2)21-16)20(26)24-10-9-19(25)23(11-12-24)13-14-27-17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3