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

Systemtic Name: phenethyl 5-(diethylcarbamoyl)-2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C25H31N5O5 MolecularWeight: 481.54414

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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)OCCC3=CC=CC=C3)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(NC(=C(C1C2=NC=C(N2C)[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3)C)C

InChI

InChI=1S/C25H31N5O5/c1-6-29(7-2)24(31)20-16(3)27-17(4)21(22(20)23-26-15-19(28(23)5)30(33)34)25(32)35-14-13-18-11-9-8-10-12-18/h8-12,15,22,27H,6-7,13-14H2,1-5H3