4-(3-chlorophenyl)-5-(1-phenyl-1,2,3,4-tetrazol-5-yl)-2-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-(3-chlorophenyl)-5-(1-phenyl-1,2,3,4-tetrazol-5-yl)-2-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-(3-chlorophenyl)-5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-pyrimidine CAS Name: 4-(3-chlorophenyl)-5-(1-phenyl-5-tetrazolyl)-2-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-(3-chlorophenyl)-5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-ylpyrimidine Traditional Name: 4-(3-chlorophenyl)-5-(1-phenyltetrazol-5-yl)-2-pyrrolidino-pyrimidine Formula: C21H18ClN7 MolecularWeight: 403.86752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C(=N2)C3=CC(=CC=C3)Cl)C4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC=C(C(=N2)C3=CC(=CC=C3)Cl)C4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H18ClN7/c22-16-8-6-7-15(13-16)19-18(14-23-21(24-19)28-11-4-5-12-28)20-25-26-27-29(20)17-9-2-1-3-10-17/h1-3,6-10,13-14H,4-5,11-12H2