4-[3-(2-cyanoethoxycarbonyl)phenyl]-2,6-dimethyl-5-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 4-[3-(2-cyanoethoxycarbonyl)phenyl]-2,6-dimethyl-5-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-4-[3-(2-cyanoethoxycarbonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-[3-[2-cyanoethoxy(oxo)methyl]phenyl]-2,6-dimethyl-5-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1,4-dihydropyridine-3-carboxylate IUPAC Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-4-[3-(2-cyanoethoxycarbonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-4-[3-(2-cyanoethoxycarbonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Formula: C31H33N4O5- MolecularWeight: 541.61752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)[O-])C2=CC=CC(=C2)C(=O)OCCC#N)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)[O-])C2=CC=CC(=C2)C(=O)OCCC#N)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C31H34N4O5/c1-21-26(29(36)35-15-8-14-34(16-17-35)20-23-9-4-3-5-10-23)28(27(30(37)38)22(2)33-21)24-11-6-12-25(19-24)31(39)40-18-7-13-32/h3-6,9-12,19,28,33H,7-8,14-18,20H2,1-2H3,(H,37,38)/p-1