phenyl 4-[bis(azanyl)methylideneamino]-4-(2-morpholin-4-ylethylcarbamoyl)cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: phenyl 4-[bis(azanyl)methylideneamino]-4-(2-morpholin-4-ylethylcarbamoyl)cyclohexa-1,5-diene-1-carboxylate Openeye Name: phenyl 4-guanidino-4-(2-morpholinoethylcarbamoyl)cyclohexa-1,5-diene-1-carboxylate CAS Name: 4-(diaminomethylideneamino)-4-[[2-(4-morpholinyl)ethylamino]-oxomethyl]-1-cyclohexa-1,5-dienecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(diaminomethylideneamino)-4-(2-morpholin-4-ylethylcarbamoyl)cyclohexa-1,5-diene-1-carboxylate Traditional Name: 4-guanidino-4-(2-morpholinoethylcarbamoyl)cyclohexa-1,5-diene-1-carboxylic acid phenyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C2(CC=C(C=C2)C(=O)OC3=CC=CC=C3)N=C(N)N

Isomeric SMILES

C1COCCN1CCNC(=O)C2(CC=C(C=C2)C(=O)OC3=CC=CC=C3)N=C(N)N

InChI

InChI=1S/C21H27N5O4/c22-20(23)25-21(19(28)24-10-11-26-12-14-29-15-13-26)8-6-16(7-9-21)18(27)30-17-4-2-1-3-5-17/h1-8H,9-15H2,(H,24,28)(H4,22,23,25)