(phenylmethyl) 5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrazole-3-carboxylate

Systemtic Name: (phenylmethyl) 5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrazole-3-carboxylate Openeye Name: benzyl 5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrazole-3-carboxylate CAS Name: 5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate Traditional Name: 5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrazole-3-carboxylic acid benzyl ester Formula: C22H25N7O4 MolecularWeight: 451.4784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=NN2C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=NN2C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N7O4/c1-28-12-15(10-17(28)20(30)25-9-8-19(23)24)26-21(31)18-11-16(27-29(18)2)22(32)33-13-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3,(H3,23,24)(H,25,30)(H,26,31)