4-(4-methoxy-3-phenylmethoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(4-methoxy-3-phenylmethoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3-benzyloxy-4-methoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-methoxy-3-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-methoxy-3-phenylmethoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3-benzoxy-4-methoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=CNNC3=NC(=O)CS2)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=CNNC3=NC(=O)CS2)OCC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3S/c1-25-16-8-7-14(9-17(16)26-11-13-5-3-2-4-6-13)19-15-10-21-23-20(15)22-18(24)12-27-19/h2-10,19H,11-12H2,1H3,(H2,21,22,23,24)