6-methoxy-4-(2-pyrazol-1-ylphenyl)carbonyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 6-methoxy-4-(2-pyrazol-1-ylphenyl)carbonyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-methoxy-4-(2-pyrazol-1-ylbenzoyl)-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 6-methoxy-4-[oxo-[2-(1-pyrazolyl)phenyl]methyl]-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-methoxy-4-(2-pyrazol-1-ylbenzoyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-methoxy-4-(2-pyrazol-1-ylbenzoyl)-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)C(=O)C3=CC=CC=C3N4C=CC=N4

Isomeric SMILES

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)C(=O)C3=CC=CC=C3N4C=CC=N4

InChI

InChI=1S/C22H23N5O3/c1-30-18-14-25(13-17-6-4-9-23-12-17)21(28)16-26(15-18)22(29)19-7-2-3-8-20(19)27-11-5-10-24-27/h2-12,18H,13-16H2,1H3