(E)-3-[5-chloranyl-1-(phenylmethyl)indol-3-yl]-3-oxidanyl-1-(1H-pyrazol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[5-chloranyl-1-(phenylmethyl)indol-3-yl]-3-oxidanyl-1-(1H-pyrazol-5-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-5-chloro-indol-3-yl)-3-hydroxy-1-(1H-pyrazol-5-yl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-1-(phenylmethyl)-3-indolyl]-3-hydroxy-1-(1H-pyrazol-5-yl)-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-5-chloroindol-3-yl)-3-hydroxy-1-(1H-pyrazol-5-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-5-chloro-indol-3-yl)-3-hydroxy-1-(1H-pyrazol-5-yl)prop-2-en-1-one Formula: C21H16ClN3O2 MolecularWeight: 377.82364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)Cl)C(=CC(=O)C4=CC=NN4)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)Cl)/C(=C\C(=O)C4=CC=NN4)/O

InChI

InChI=1S/C21H16ClN3O2/c22-15-6-7-19-16(10-15)17(13-25(19)12-14-4-2-1-3-5-14)20(26)11-21(27)18-8-9-23-24-18/h1-11,13,26H,12H2,(H,23,24)/b20-11+