4-(1-ethylpyrazol-4-yl)carbonyl-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: 4-(1-ethylpyrazol-4-yl)carbonyl-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Openeye Name: 4-(1-ethylpyrazole-4-carbonyl)-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one CAS Name: 4-[(1-ethyl-4-pyrazolyl)-oxomethyl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 4-(1-ethylpyrazole-4-carbonyl)-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Traditional Name: 4-(1-ethylpyrazole-4-carbonyl)-6-m-anisyloxy-1-phenethyl-1,4-diazepan-2-one Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC

InChI

InChI=1S/C27H32N4O4/c1-3-31-16-23(15-28-31)27(33)30-18-25(35-20-22-10-7-11-24(14-22)34-2)17-29(26(32)19-30)13-12-21-8-5-4-6-9-21/h4-11,14-16,25H,3,12-13,17-20H2,1-2H3