2-[4-[[5-(3-chlorophenyl)-1,3a-dihydro-[1,2,3,4]tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[[5-(3-chlorophenyl)-1,3a-dihydro-[1,2,3,4]tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]phenyl]ethanenitrile Openeye Name: 2-[4-[[5-(3-chlorophenyl)-1,3a-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]phenyl]acetonitrile CAS Name: 2-[4-[[5-(3-chlorophenyl)-1,3a-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-hydroxy-(3-methyl-4-imidazolyl)methyl]phenyl]acetonitrile IUPAC Name: 2-[4-[[5-(3-chlorophenyl)-1,3a-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]phenyl]acetonitrile Traditional Name: 2-[4-[[5-(3-chlorophenyl)-1,3a-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]phenyl]acetonitrile Formula: C27H21ClN8O MolecularWeight: 508.96164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)CC#N)(C3=CC4=C(C=C3)N5C(N=C4C6=CC(=CC=C6)Cl)N=NN5)O

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)CC#N)(C3=CC4=C(C=C3)N5C(N=C4C6=CC(=CC=C6)Cl)N=NN5)O

InChI

InChI=1S/C27H21ClN8O/c1-35-16-30-15-24(35)27(37,19-7-5-17(6-8-19)11-12-29)20-9-10-23-22(14-20)25(18-3-2-4-21(28)13-18)31-26-32-33-34-36(23)26/h2-10,13-16,26,37H,11H2,1H3,(H,32,34)