N-[4-[(E)-4-oxidanylbut-1-enyl]phenyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

Systemtic Name: N-[4-[(E)-4-oxidanylbut-1-enyl]phenyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide Openeye Name: N-[4-[(E)-4-hydroxybut-1-enyl]phenyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide CAS Name: N-[4-[(E)-4-hydroxybut-1-enyl]phenyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide IUPAC Name: N-[4-[(E)-4-hydroxybut-1-enyl]phenyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide Traditional Name: N-[4-[(E)-4-hydroxybut-1-enyl]phenyl]-4,5-dihydro-2H-benz[g]indazole-3-carboxamide Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NN=C2C3=CC=CC=C31)C(=O)NC4=CC=C(C=C4)C=CCCO

Isomeric SMILES

C1CC2=C(NN=C2C3=CC=CC=C31)C(=O)NC4=CC=C(C=C4)/C=C/CCO

InChI

InChI=1S/C22H21N3O2/c26-14-4-3-5-15-8-11-17(12-9-15)23-22(27)21-19-13-10-16-6-1-2-7-18(16)20(19)24-25-21/h1-3,5-9,11-12,26H,4,10,13-14H2,(H,23,27)(H,24,25)/b5-3+