(phenylmethyl) 6-[[6-[(E)-diazanylidenemethyl]naphthalen-2-yl]carbonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 6-[[6-[(E)-diazanylidenemethyl]naphthalen-2-yl]carbonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 6-[[6-[(E)-hydrazinylidenemethyl]naphthalene-2-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[[[6-[(E)-hydrazinylidenemethyl]-2-naphthalenyl]-oxomethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[[6-[(E)-hydrazinylidenemethyl]naphthalene-2-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[[6-[(E)-hydrazonomethyl]-2-naphthoyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C=C(C=C4)C=NN)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C=C(C=C4)/C=N/N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H26N4O3/c30-31-17-21-6-7-23-15-25(9-8-22(23)14-21)28(34)32-27-11-10-26-18-33(13-12-24(26)16-27)29(35)36-19-20-4-2-1-3-5-20/h1-11,14-17H,12-13,18-19,30H2,(H,32,34)/b31-17+