7-methyl-4-[2-oxidanylidene-2-[7-(2-oxidanyl-4-pyrazol-1-yl-butan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[2-oxidanylidene-2-[7-(2-oxidanyl-4-pyrazol-1-yl-butan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]chromen-2-one Openeye Name: 4-[2-[7-(1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]-7-methyl-chromen-2-one CAS Name: 4-[2-[7-[2-hydroxy-4-(1-pyrazolyl)butan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[2-[7-(2-hydroxy-4-pyrazol-1-ylbutan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-7-methylchromen-2-one Traditional Name: 4-[2-[7-(1-hydroxy-1-methyl-3-pyrazol-1-yl-propyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-keto-ethyl]-7-methyl-coumarin Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCOC4=C(C3)C=C(C=C4)C(C)(CCN5C=CC=N5)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCOC4=C(C3)C=C(C=C4)C(C)(CCN5C=CC=N5)O

InChI

InChI=1S/C28H29N3O5/c1-19-4-6-23-20(17-27(33)36-25(23)14-19)16-26(32)30-12-13-35-24-7-5-22(15-21(24)18-30)28(2,34)8-11-31-10-3-9-29-31/h3-7,9-10,14-15,17,34H,8,11-13,16,18H2,1-2H3