4-[[5-[[5-(3-chlorophenyl)-5a,9a-dihydro-[1,2,3,4]tetrazolo[1,5-a]quinolin-7-yl]-oxidanyl-methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[5-(3-chlorophenyl)-5a,9a-dihydro-[1,2,3,4]tetrazolo[1,5-a]quinolin-7-yl]-oxidanyl-methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[5-(3-chlorophenyl)-5a,9a-dihydrotetrazolo[1,5-a]quinolin-7-yl]-hydroxy-methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[5-(3-chlorophenyl)-5a,9a-dihydrotetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[5-(3-chlorophenyl)-5a,9a-dihydrotetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[5-(3-chlorophenyl)-5a,9a-dihydrotetrazolo[1,5-a]quinolin-7-yl]-hydroxy-methyl]imidazol-1-yl]methyl]benzonitrile Formula: C27H20ClN7O MolecularWeight: 493.947

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=CC3=NN=NN3C4C2C=C(C=C4)C(C5=CN=CN5CC6=CC=C(C=C6)C#N)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=CC3=NN=NN3C4C2C=C(C=C4)C(C5=CN=CN5CC6=CC=C(C=C6)C#N)O

InChI

InChI=1S/C27H20ClN7O/c28-21-3-1-2-19(10-21)22-12-26-31-32-33-35(26)24-9-8-20(11-23(22)24)27(36)25-14-30-16-34(25)15-18-6-4-17(13-29)5-7-18/h1-12,14,16,23-24,27,36H,15H2