(10-chloranyl-4-oxidanylidene-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl-(cyanomethyl)carbamic acid

Systemtic Name: (10-chloranyl-4-oxidanylidene-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl-(cyanomethyl)carbamic acid Openeye Name: (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl-(cyanomethyl)carbamic acid CAS Name: (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl-(cyanomethyl)carbamic acid IUPAC Name: (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl-(cyanomethyl)carbamic acid Traditional Name: (10-chloro-4-keto-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl-(cyanomethyl)carbamic acid Formula: C23H18ClN3O3 MolecularWeight: 419.86032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=C(C=C(C2=O)C3=CC=CC=C3)CN(CC#N)C(=O)O)C4=C1C=CC(=C4)Cl

Isomeric SMILES

C1CN2C(=C(C=C(C2=O)C3=CC=CC=C3)CN(CC#N)C(=O)O)C4=C1C=CC(=C4)Cl

InChI

InChI=1S/C23H18ClN3O3/c24-18-7-6-16-8-10-27-21(19(16)13-18)17(14-26(11-9-25)23(29)30)12-20(22(27)28)15-4-2-1-3-5-15/h1-7,12-13H,8,10-11,14H2,(H,29,30)