3-phenylpropyl 5-(diethylcarbamoyl)-2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 3-phenylpropyl 5-(diethylcarbamoyl)-2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 3-phenylpropyl 5-(diethylcarbamoyl)-2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2,6-dimethyl-4-(1-methyl-5-nitro-2-imidazolyl)-1,4-dihydropyridine-3-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(diethylcarbamoyl)-2,6-dimethyl-4-(1-methyl-5-nitroimidazol-2-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3-carboxylic acid 3-phenylpropyl ester Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(NC(=C(C1C2=NC=C(N2C)[N+](=O)[O-])C(=O)OCCCC3=CC=CC=C3)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(NC(=C(C1C2=NC=C(N2C)[N+](=O)[O-])C(=O)OCCCC3=CC=CC=C3)C)C

InChI

InChI=1S/C26H33N5O5/c1-6-30(7-2)25(32)21-17(3)28-18(4)22(23(21)24-27-16-20(29(24)5)31(34)35)26(33)36-15-11-14-19-12-9-8-10-13-19/h8-10,12-13,16,23,28H,6-7,11,14-15H2,1-5H3