2-(1-chloranyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-pent-4-enyl-pyrimidine

Systemtic Name: 2-(1-chloranyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-pent-4-enyl-pyrimidine Openeye Name: 2-(1-chloro-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-pent-4-enyl-pyrimidine CAS Name: 2-(1-chloro-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pent-4-enylpyrimidine IUPAC Name: 2-(1-chloro-4-phenylcyclohexa-2,5-dien-1-yl)-5-pent-4-enylpyrimidine Traditional Name: 2-(1-chloro-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-pent-4-enyl-pyrimidine Formula: C21H21ClN2 MolecularWeight: 336.85784

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

C=CCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H21ClN2/c1-2-3-5-8-17-15-23-20(24-16-17)21(22)13-11-19(12-14-21)18-9-6-4-7-10-18/h2,4,6-7,9-16,19H,1,3,5,8H2