5-(azepan-1-ylcarbonyl)-4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 5-(azepan-1-ylcarbonyl)-4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 5-(azepane-1-carbonyl)-4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[1-azepanyl(oxo)methyl]-4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate IUPAC Name: 5-(azepane-1-carbonyl)-4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(azepane-1-carbonyl)-4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Formula: C21H24ClN2O3- MolecularWeight: 387.87986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)[O-])C2=CC(=CC=C2)Cl)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)[O-])C2=CC(=CC=C2)Cl)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H25ClN2O3/c1-13-17(20(25)24-10-5-3-4-6-11-24)19(15-8-7-9-16(22)12-15)18(21(26)27)14(2)23-13/h7-9,12,19,23H,3-6,10-11H2,1-2H3,(H,26,27)/p-1