ethyl 5-methyl-1-[(phenylmethyl)amino]-8-[(phenylmethyl)iminomethylideneamino]isoquinoline-3-carboxylate

Systemtic Name: ethyl 5-methyl-1-[(phenylmethyl)amino]-8-[(phenylmethyl)iminomethylideneamino]isoquinoline-3-carboxylate Openeye Name: ethyl 1-(benzylamino)-8-(benzyliminomethyleneamino)-5-methyl-isoquinoline-3-carboxylate CAS Name: 5-methyl-1-[(phenylmethyl)amino]-8-[(phenylmethyl)iminomethylideneamino]-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzylamino)-8-(benzyliminomethylideneamino)-5-methylisoquinoline-3-carboxylate Traditional Name: 1-(benzylamino)-8-(benzyliminomethyleneamino)-5-methyl-isoquinoline-3-carboxylic acid ethyl ester Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=CC(=C2C(=N1)NCC3=CC=CC=C3)N=C=NCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=CC(=C2C(=N1)NCC3=CC=CC=C3)N=C=NCC4=CC=CC=C4)C

InChI

InChI=1S/C28H26N4O2/c1-3-34-28(33)25-16-23-20(2)14-15-24(31-19-29-17-21-10-6-4-7-11-21)26(23)27(32-25)30-18-22-12-8-5-9-13-22/h4-16H,3,17-18H2,1-2H3,(H,30,32)