phenanthridin-6-ylmethyl 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: phenanthridin-6-ylmethyl 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: phenanthridin-6-ylmethyl 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid phenanthridin-6-ylmethyl ester Formula: C26H21N3O2 MolecularWeight: 407.46384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C26H21N3O2/c30-26(15-14-19-16-27-29(17-19)20-8-2-1-3-9-20)31-18-25-23-12-5-4-10-21(23)22-11-6-7-13-24(22)28-25/h1-13,16-17H,14-15,18H2