5-phenethyl-4-[(Z)-4,5,6,7-tetrahydroindol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-phenethyl-4-[(Z)-4,5,6,7-tetrahydroindol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-phenethyl-4-[(Z)-4,5,6,7-tetrahydroindol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-phenethyl-4-[(Z)-4,5,6,7-tetrahydroindol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-phenethyl-4-[(Z)-4,5,6,7-tetrahydroindol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-phenethyl-4-[(Z)-4,5,6,7-tetrahydroindol-2-ylidenemethyl]-3-pyrazolin-3-one Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC(=CC3=C(NNC3=O)CCC4=CC=CC=C4)C=C2C1

Isomeric SMILES

C1CCC2=N/C(=C\C3=C(NNC3=O)CCC4=CC=CC=C4)/C=C2C1

InChI

InChI=1S/C20H21N3O/c24-20-17(13-16-12-15-8-4-5-9-18(15)21-16)19(22-23-20)11-10-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H2,22,23,24)/b16-13-