methyl (5Z)-4-azanyl-2-[(phenylmethyl)amino]-5-(phenylmethylidene)pyrrole-3-carboxylate

Systemtic Name: methyl (5Z)-4-azanyl-2-[(phenylmethyl)amino]-5-(phenylmethylidene)pyrrole-3-carboxylate Openeye Name: methyl (5Z)-4-amino-2-(benzylamino)-5-benzylidene-pyrrole-3-carboxylate CAS Name: (5Z)-4-amino-2-[(phenylmethyl)amino]-5-(phenylmethylene)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (5Z)-4-amino-2-(benzylamino)-5-benzylidenepyrrole-3-carboxylate Traditional Name: (5Z)-4-amino-5-benzal-2-(benzylamino)pyrrole-3-carboxylic acid methyl ester Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC2=CC=CC=C2)N=C1NCC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=C(/C(=C/C2=CC=CC=C2)/N=C1NCC3=CC=CC=C3)N

InChI

InChI=1S/C20H19N3O2/c1-25-20(24)17-18(21)16(12-14-8-4-2-5-9-14)23-19(17)22-13-15-10-6-3-7-11-15/h2-12H,13,21H2,1H3,(H,22,23)/b16-12-